N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide

C32H36N4O2 — CID 142169310

IUPACN-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide
SMILESC=C1CCC(C(=O)Nc2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)CC1
InChIInChI=1S/C32H36N4O2/c1-19-2-4-24(5-3-19)30(37)33-26-10-11-27-28(15-26)35-29(34-27)23-6-8-25(9-7-23)31(38)36-32-16-20-12-21(17-32)14-22(13-20)18-32/h6-11,15,20-22,24H,1-5,12-14,16-18H2,(H,33,37)(H,34,35)(H,36,38)
InChIKeyCZMUDFIXEJPXJS-UHFFFAOYSA-N
MW508.67 g/mol
LogP6.61
Rot. Bonds5

About N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide

N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide (PubChem CID 142169310) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide
PubChem CID142169310
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC NameN-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide
SMILESC=C1CCC(C(=O)Nc2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)CC1
InChIInChI=1S/C32H36N4O2/c1-19-2-4-24(5-3-19)30(37)33-26-10-11-27-28(15-26)35-29(34-27)23-6-8-25(9-7-23)31(38)36-32-16-20-12-21(17-32)14-22(13-20)18-32/h6-11,15,20-22,24H,1-5,12-14,16-18H2,(H,33,37)(H,34,35)(H,36,38)
InChIKeyCZMUDFIXEJPXJS-UHFFFAOYSA-N
XLogP6.61
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 11318815
N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide
CID 58953867
2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide
CID 11304932
4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide
CID 142169522
N-(2-bicyclo[2.2.1]heptanyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 20740008
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 11488738
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
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-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide (CID 142169310) is N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide is C=C1CCC(C(=O)Nc2ccc3nc(-c4ccc(C(=O)NC56CC7CC(CC(C7)C5)C6)cc4)[nH]c3c2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide?
The InChIKey is CZMUDFIXEJPXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-19-2-4-24(5-3-19)30(37)33-26-10-11-27-28(15-26)35-29(34-27)23-6-8-25(9-7-23)31(38)36-32-16-20-12-21(17-32)14-22(13-20)18-32/h6-11,15,20-22,24H,1-5,12-14,16-18H2,(H,33,37)(H,34,35)(H,36,38).
What are the key properties of N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide?
N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide has a molecular weight of 508.67 g/mol, XLogP of 6.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 142169310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).