N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide

C27H32N4O2 — CID 1278030

IUPACN-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(NC(=O)C2CCCCC2)cc(-c2nc3ccccc3[nH]2)c1)C1CCCCC1
InChIInChI=1S/C27H32N4O2/c32-26(18-9-3-1-4-10-18)28-21-15-20(25-30-23-13-7-8-14-24(23)31-25)16-22(17-21)29-27(33)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyYLVKVKKQPRHGGP-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.27
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide

N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide (PubChem CID 1278030) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
PubChem CID1278030
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(NC(=O)C2CCCCC2)cc(-c2nc3ccccc3[nH]2)c1)C1CCCCC1
InChIInChI=1S/C27H32N4O2/c32-26(18-9-3-1-4-10-18)28-21-15-20(25-30-23-13-7-8-14-24(23)31-25)16-22(17-21)29-27(33)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyYLVKVKKQPRHGGP-UHFFFAOYSA-N
XLogP6.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45236535
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040998
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide (CID 1278030) is N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide is O=C(Nc1cc(NC(=O)C2CCCCC2)cc(-c2nc3ccccc3[nH]2)c1)C1CCCCC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is YLVKVKKQPRHGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c32-26(18-9-3-1-4-10-18)28-21-15-20(25-30-23-13-7-8-14-24(23)31-25)16-22(17-21)29-27(33)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide?
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 444.58 g/mol, XLogP of 6.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1278030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).