N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide

C30H32N4O5 — CID 20694954

IUPACN-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCCCC5)cc4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C30H32N4O5/c1-37-25-15-20(16-26(38-2)27(25)39-3)30(36)32-22-13-14-23-24(17-22)34-28(33-23)18-9-11-21(12-10-18)31-29(35)19-7-5-4-6-8-19/h9-17,19H,4-8H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyPQKIRQCRYHHFSU-UHFFFAOYSA-N
MW528.61 g/mol
LogP6.03
Rot. Bonds8

About N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide

N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide (PubChem CID 20694954) has the molecular formula C30H32N4O5 and a molecular weight of 528.61 g/mol. Its IUPAC name is N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
PubChem CID20694954
Molecular FormulaC30H32N4O5
Molecular Weight528.61 g/mol
Exact Mass528.24
IUPAC NameN-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCCCC5)cc4)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C30H32N4O5/c1-37-25-15-20(16-26(38-2)27(25)39-3)30(36)32-22-13-14-23-24(17-22)34-28(33-23)18-9-11-21(12-10-18)31-29(35)19-7-5-4-6-8-19/h9-17,19H,4-8H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyPQKIRQCRYHHFSU-UHFFFAOYSA-N
XLogP6.03
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 20694910
N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;2,6-dichloro-N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;2,6-dichloro-N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;2,6-dichloro-N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;2,6-dichloro-N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 160800676
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-chlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-2,4-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-2,6-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]pyridine-3-carboxamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 158247267
N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide
CID 159994356
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide (CID 20694954) is N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCCCC5)cc4)[nH]c3c2)cc(OC)c1OC.
What is the InChIKey of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is PQKIRQCRYHHFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O5/c1-37-25-15-20(16-26(38-2)27(25)39-3)30(36)32-22-13-14-23-24(17-22)34-28(33-23)18-9-11-21(12-10-18)31-29(35)19-7-5-4-6-8-19/h9-17,19H,4-8H2,1-3H3,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide?
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 528.61 g/mol, XLogP of 6.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 20694954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).