N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C167H145FN24O12 — CID 159678006

IUPACN-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2C)cc1.CC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2Cc2ccc(F)cc2)cc1.CC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2Cc2ccccc2)cc1.CCCCn1c(-c2ccc(NC(=O)c3ccccc3)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.CCCCn1c(-c2ccc(NC(C)=O)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(C)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C31H28N4O2.C29H23FN4O2.2C29H24N4O2.C26H26N4O2.C23H20N4O2/c1-2-3-20-35-28-19-18-26(33-31(37)24-12-8-5-9-13-24)21-27(28)34-29(35)22-14-16-25(17-15-22)32-30(36)23-10-6-4-7-11-23;1-19(35)31-24-13-9-21(10-14-24)28-33-26-17-25(32-29(36)22-5-3-2-4-6-22)15-16-27(26)34(28)18-20-7-11-23(30)12-8-20;1-18-3-7-21(8-4-18)28(34)30-23-13-11-20(12-14-23)27-32-25-16-15-24(17-26(25)33-27)31-29(35)22-9-5-19(2)6-10-22;1-20(34)30-24-14-12-22(13-15-24)28-32-26-18-25(31-29(35)23-10-6-3-7-11-23)16-17-27(26)33(28)19-21-8-4-2-5-9-21;1-3-4-16-30-24-15-14-22(28-26(32)20-8-6-5-7-9-20)17-23(24)29-25(30)19-10-12-21(13-11-19)27-18(2)31;1-15(28)24-18-10-8-16(9-11-18)22-26-20-14-19(12-13-21(20)27(22)2)25-23(29)17-6-4-3-5-7-17/h4-19,21H,2-3,20H2,1H3,(H,32,36)(H,33,37);2-17H,18H2,1H3,(H,31,35)(H,32,36);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);2-18H,19H2,1H3,(H,30,34)(H,31,35);5-15,17H,3-4,16H2,1-2H3,(H,27,31)(H,28,32);3-14H,1-2H3,(H,24,28)(H,25,29)
InChIKeyMUVVSYNHEUOQQV-UHFFFAOYSA-N
MW2699.15 g/mol
LogP35.59
Rot. Bonds36

About N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 159678006) has the molecular formula C167H145FN24O12 and a molecular weight of 2699.15 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID159678006
Molecular FormulaC167H145FN24O12
Molecular Weight2699.15 g/mol
Exact Mass2697.15
IUPAC NameN-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2C)cc1.CC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2Cc2ccc(F)cc2)cc1.CC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2Cc2ccccc2)cc1.CCCCn1c(-c2ccc(NC(=O)c3ccccc3)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.CCCCn1c(-c2ccc(NC(C)=O)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(C)cc5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C31H28N4O2.C29H23FN4O2.2C29H24N4O2.C26H26N4O2.C23H20N4O2/c1-2-3-20-35-28-19-18-26(33-31(37)24-12-8-5-9-13-24)21-27(28)34-29(35)22-14-16-25(17-15-22)32-30(36)23-10-6-4-7-11-23;1-19(35)31-24-13-9-21(10-14-24)28-33-26-17-25(32-29(36)22-5-3-2-4-6-22)15-16-27(26)34(28)18-20-7-11-23(30)12-8-20;1-18-3-7-21(8-4-18)28(34)30-23-13-11-20(12-14-23)27-32-25-16-15-24(17-26(25)33-27)31-29(35)22-9-5-19(2)6-10-22;1-20(34)30-24-14-12-22(13-15-24)28-32-26-18-25(31-29(35)23-10-6-3-7-11-23)16-17-27(26)33(28)19-21-8-4-2-5-9-21;1-3-4-16-30-24-15-14-22(28-26(32)20-8-6-5-7-9-20)17-23(24)29-25(30)19-10-12-21(13-11-19)27-18(2)31;1-15(28)24-18-10-8-16(9-11-18)22-26-20-14-19(12-13-21(20)27(22)2)25-23(29)17-6-4-3-5-7-17/h4-19,21H,2-3,20H2,1H3,(H,32,36)(H,33,37);2-17H,18H2,1H3,(H,31,35)(H,32,36);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);2-18H,19H2,1H3,(H,30,34)(H,31,35);5-15,17H,3-4,16H2,1-2H3,(H,27,31)(H,28,32);3-14H,1-2H3,(H,24,28)(H,25,29)
InChIKeyMUVVSYNHEUOQQV-UHFFFAOYSA-N
XLogP35.59
TPSA466.98 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002699.15
LogP ≤ 535.59
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Analyze N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 159678006) is N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is CC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2C)cc1.CC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2Cc2ccc(F)cc2)cc1.CC(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2Cc2ccccc2)cc1.CCCCn1c(-c2ccc(NC(=O)c3ccccc3)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.CCCCn1c(-c2ccc(NC(C)=O)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(C)cc5)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is MUVVSYNHEUOQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2.C29H23FN4O2.2C29H24N4O2.C26H26N4O2.C23H20N4O2/c1-2-3-20-35-28-19-18-26(33-31(37)24-12-8-5-9-13-24)21-27(28)34-29(35)22-14-16-25(17-15-22)32-30(36)23-10-6-4-7-11-23;1-19(35)31-24-13-9-21(10-14-24)28-33-26-17-25(32-29(36)22-5-3-2-4-6-22)15-16-27(26)34(28)18-20-7-11-23(30)12-8-20;1-18-3-7-21(8-4-18)28(34)30-23-13-11-20(12-14-23)27-32-25-16-15-24(17-26(25)33-27)31-29(35)22-9-5-19(2)6-10-22;1-20(34)30-24-14-12-22(13-15-24)28-32-26-18-25(31-29(35)23-10-6-3-7-11-23)16-17-27(26)33(28)19-21-8-4-2-5-9-21;1-3-4-16-30-24-15-14-22(28-26(32)20-8-6-5-7-9-20)17-23(24)29-25(30)19-10-12-21(13-11-19)27-18(2)31;1-15(28)24-18-10-8-16(9-11-18)22-26-20-14-19(12-13-21(20)27(22)2)25-23(29)17-6-4-3-5-7-17/h4-19,21H,2-3,20H2,1H3,(H,32,36)(H,33,37);2-17H,18H2,1H3,(H,31,35)(H,32,36);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);2-18H,19H2,1H3,(H,30,34)(H,31,35);5-15,17H,3-4,16H2,1-2H3,(H,27,31)(H,28,32);3-14H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 2699.15 g/mol, XLogP of 35.59, 36 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)-1-benzylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-butylbenzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]benzamide;N-[2-(4-acetamidophenyl)-1-methylbenzimidazol-5-yl]benzamide;N-[4-(5-benzamido-1-butylbenzimidazol-2-yl)phenyl]benzamide;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 159678006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).