4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide

C162H152Cl2N24O12 — CID 157156911

IUPAC4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C32H38N4O2.C28H34N4O2.C27H18Cl2N4O2.C27H20N4O2.C26H24N4O2.C22H18N4O2/c1-19-4-2-3-5-26(19)36-30(37)24-8-6-23(7-9-24)29-34-27-11-10-25(15-28(27)35-29)33-31(38)32-16-20-12-21(17-32)14-22(13-20)18-32;1-18-7-5-6-10-23(18)32-28(34)21-13-11-19(12-14-21)26-30-24-16-15-22(17-25(24)31-26)29-27(33)20-8-3-2-4-9-20;28-21-12-10-18(14-22(21)29)27(35)31-20-11-13-23-24(15-20)33-25(32-23)16-6-8-17(9-7-16)26(34)30-19-4-2-1-3-5-19;32-26(19-7-3-1-4-8-19)29-22-15-16-23-24(17-22)31-25(30-23)18-11-13-20(14-12-18)27(33)28-21-9-5-2-6-10-21;31-25(18-6-4-5-7-18)28-21-14-15-22-23(16-21)30-24(29-22)17-10-12-19(13-11-17)26(32)27-20-8-2-1-3-9-20;1-14(27)23-18-11-12-19-20(13-18)26-21(25-19)15-7-9-16(10-8-15)22(28)24-17-5-3-2-4-6-17/h6-11,15,19-22,26H,2-5,12-14,16-18H2,1H3,(H,33,38)(H,34,35)(H,36,37);11-18,20,23H,2-10H2,1H3,(H,29,33)(H,30,31)(H,32,34);1-15H,(H,30,34)(H,31,35)(H,32,33);1-17H,(H,28,33)(H,29,32)(H,30,31);1-3,8-16,18H,4-7H2,(H,27,32)(H,28,31)(H,29,30);2-13H,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyALXLNWZIJOIGRE-UHFFFAOYSA-N
MW2698.06 g/mol
LogP35.58
Rot. Bonds29

About 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide

4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide (PubChem CID 157156911) has the molecular formula C162H152Cl2N24O12 and a molecular weight of 2698.06 g/mol. Its IUPAC name is 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
PubChem CID157156911
Molecular FormulaC162H152Cl2N24O12
Molecular Weight2698.06 g/mol
Exact Mass2695.14
IUPAC Name4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C32H38N4O2.C28H34N4O2.C27H18Cl2N4O2.C27H20N4O2.C26H24N4O2.C22H18N4O2/c1-19-4-2-3-5-26(19)36-30(37)24-8-6-23(7-9-24)29-34-27-11-10-25(15-28(27)35-29)33-31(38)32-16-20-12-21(17-32)14-22(13-20)18-32;1-18-7-5-6-10-23(18)32-28(34)21-13-11-19(12-14-21)26-30-24-16-15-22(17-25(24)31-26)29-27(33)20-8-3-2-4-9-20;28-21-12-10-18(14-22(21)29)27(35)31-20-11-13-23-24(15-20)33-25(32-23)16-6-8-17(9-7-16)26(34)30-19-4-2-1-3-5-19;32-26(19-7-3-1-4-8-19)29-22-15-16-23-24(17-22)31-25(30-23)18-11-13-20(14-12-18)27(33)28-21-9-5-2-6-10-21;31-25(18-6-4-5-7-18)28-21-14-15-22-23(16-21)30-24(29-22)17-10-12-19(13-11-17)26(32)27-20-8-2-1-3-9-20;1-14(27)23-18-11-12-19-20(13-18)26-21(25-19)15-7-9-16(10-8-15)22(28)24-17-5-3-2-4-6-17/h6-11,15,19-22,26H,2-5,12-14,16-18H2,1H3,(H,33,38)(H,34,35)(H,36,37);11-18,20,23H,2-10H2,1H3,(H,29,33)(H,30,31)(H,32,34);1-15H,(H,30,34)(H,31,35)(H,32,33);1-17H,(H,28,33)(H,29,32)(H,30,31);1-3,8-16,18H,4-7H2,(H,27,32)(H,28,31)(H,29,30);2-13H,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyALXLNWZIJOIGRE-UHFFFAOYSA-N
XLogP35.58
TPSA521.28 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002698.06
LogP ≤ 535.58
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
The IUPAC name of 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide (CID 157156911) is 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide.
What is the SMILES notation for 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
The canonical SMILES for 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide is CC(=O)Nc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
The InChIKey is ALXLNWZIJOIGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2.C28H34N4O2.C27H18Cl2N4O2.C27H20N4O2.C26H24N4O2.C22H18N4O2/c1-19-4-2-3-5-26(19)36-30(37)24-8-6-23(7-9-24)29-34-27-11-10-25(15-28(27)35-29)33-31(38)32-16-20-12-21(17-32)14-22(13-20)18-32;1-18-7-5-6-10-23(18)32-28(34)21-13-11-19(12-14-21)26-30-24-16-15-22(17-25(24)31-26)29-27(33)20-8-3-2-4-9-20;28-21-12-10-18(14-22(21)29)27(35)31-20-11-13-23-24(15-20)33-25(32-23)16-6-8-17(9-7-16)26(34)30-19-4-2-1-3-5-19;32-26(19-7-3-1-4-8-19)29-22-15-16-23-24(17-22)31-25(30-23)18-11-13-20(14-12-18)27(33)28-21-9-5-2-6-10-21;31-25(18-6-4-5-7-18)28-21-14-15-22-23(16-21)30-24(29-22)17-10-12-19(13-11-17)26(32)27-20-8-2-1-3-9-20;1-14(27)23-18-11-12-19-20(13-18)26-21(25-19)15-7-9-16(10-8-15)22(28)24-17-5-3-2-4-6-17/h6-11,15,19-22,26H,2-5,12-14,16-18H2,1H3,(H,33,38)(H,34,35)(H,36,37);11-18,20,23H,2-10H2,1H3,(H,29,33)(H,30,31)(H,32,34);1-15H,(H,30,34)(H,31,35)(H,32,33);1-17H,(H,28,33)(H,29,32)(H,30,31);1-3,8-16,18H,4-7H2,(H,27,32)(H,28,31)(H,29,30);2-13H,1H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide?
4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide has a molecular weight of 2698.06 g/mol, XLogP of 35.58, 29 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-phenylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(2-methylcyclohexyl)benzamide;4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;3,4-dichloro-N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide is sourced from PubChem (CID 157156911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).