4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide

C84H82ClF2N17O8 — CID 158447784

IUPAC4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide
SMILESCN1CCC(Cn2c(Nc3ccc(C(=O)NO)cc3)nc3ccccc32)CC1.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCC(F)(F)CC2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H17ClN4O2.C21H22F2N4O2.C21H25N5O2.C21H18N4O2/c22-16-5-3-4-14(12-16)13-26-19-7-2-1-6-18(19)24-21(26)23-17-10-8-15(9-11-17)20(27)25-28;22-21(23)11-9-14(10-12-21)13-27-18-4-2-1-3-17(18)25-20(27)24-16-7-5-15(6-8-16)19(28)26-29;1-25-12-10-15(11-13-25)14-26-19-5-3-2-4-18(19)23-21(26)22-17-8-6-16(7-9-17)20(27)24-28;26-20(24-27)16-10-12-17(13-11-16)22-21-23-18-8-4-5-9-19(18)25(21)14-15-6-2-1-3-7-15/h1-12,28H,13H2,(H,23,24)(H,25,27);1-8,14,29H,9-13H2,(H,24,25)(H,26,28);2-9,15,28H,10-14H2,1H3,(H,22,23)(H,24,27);1-13,27H,14H2,(H,22,23)(H,24,26)
InChIKeyHDPGCXPXRPASMA-UHFFFAOYSA-N
MW1531.14 g/mol
LogP16.51
Rot. Bonds20

About 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide

4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide (PubChem CID 158447784) has the molecular formula C84H82ClF2N17O8 and a molecular weight of 1531.14 g/mol. Its IUPAC name is 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide
PubChem CID158447784
Molecular FormulaC84H82ClF2N17O8
Molecular Weight1531.14 g/mol
Exact Mass1529.62
IUPAC Name4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide
SMILESCN1CCC(Cn2c(Nc3ccc(C(=O)NO)cc3)nc3ccccc32)CC1.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCC(F)(F)CC2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C21H17ClN4O2.C21H22F2N4O2.C21H25N5O2.C21H18N4O2/c22-16-5-3-4-14(12-16)13-26-19-7-2-1-6-18(19)24-21(26)23-17-10-8-15(9-11-17)20(27)25-28;22-21(23)11-9-14(10-12-21)13-27-18-4-2-1-3-17(18)25-20(27)24-16-7-5-15(6-8-16)19(28)26-29;1-25-12-10-15(11-13-25)14-26-19-5-3-2-4-18(19)23-21(26)22-17-8-6-16(7-9-17)20(27)24-28;26-20(24-27)16-10-12-17(13-11-16)22-21-23-18-8-4-5-9-19(18)25(21)14-15-6-2-1-3-7-15/h1-12,28H,13H2,(H,23,24)(H,25,27);1-8,14,29H,9-13H2,(H,24,25)(H,26,28);2-9,15,28H,10-14H2,1H3,(H,22,23)(H,24,27);1-13,27H,14H2,(H,22,23)(H,24,26)
InChIKeyHDPGCXPXRPASMA-UHFFFAOYSA-N
XLogP16.51
TPSA319.96 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001531.14
LogP ≤ 516.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide?
The IUPAC name of 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide (CID 158447784) is 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide.
What is the SMILES notation for 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide?
The canonical SMILES for 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide is CN1CCC(Cn2c(Nc3ccc(C(=O)NO)cc3)nc3ccccc32)CC1.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCC(F)(F)CC2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide?
The InChIKey is HDPGCXPXRPASMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2.C21H22F2N4O2.C21H25N5O2.C21H18N4O2/c22-16-5-3-4-14(12-16)13-26-19-7-2-1-6-18(19)24-21(26)23-17-10-8-15(9-11-17)20(27)25-28;22-21(23)11-9-14(10-12-21)13-27-18-4-2-1-3-17(18)25-20(27)24-16-7-5-15(6-8-16)19(28)26-29;1-25-12-10-15(11-13-25)14-26-19-5-3-2-4-18(19)23-21(26)22-17-8-6-16(7-9-17)20(27)24-28;26-20(24-27)16-10-12-17(13-11-16)22-21-23-18-8-4-5-9-19(18)25(21)14-15-6-2-1-3-7-15/h1-12,28H,13H2,(H,23,24)(H,25,27);1-8,14,29H,9-13H2,(H,24,25)(H,26,28);2-9,15,28H,10-14H2,1H3,(H,22,23)(H,24,27);1-13,27H,14H2,(H,22,23)(H,24,26).
What are the key properties of 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide?
4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide has a molecular weight of 1531.14 g/mol, XLogP of 16.51, 20 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;4-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide is sourced from PubChem (CID 158447784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).