5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C32H44N6O2 — CID 142084816

IUPAC5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(CCCCC1CCCCC1)NC1CCc2nc[nH]c2C1.O=C(Nc1ccccc1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C18H29N3O.C14H15N3O/c22-18(9-5-4-8-14-6-2-1-3-7-14)21-15-10-11-16-17(12-15)20-13-19-16;18-14(17-11-4-2-1-3-5-11)10-6-7-12-13(8-10)16-9-15-12/h13-15H,1-12H2,(H,19,20)(H,21,22);1-5,9-10H,6-8H2,(H,15,16)(H,17,18)
InChIKeyFQTCDVXSLSKEMT-UHFFFAOYSA-N
MW544.74 g/mol
LogP5.68
Rot. Bonds8

About 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 142084816) has the molecular formula C32H44N6O2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID142084816
Molecular FormulaC32H44N6O2
Molecular Weight544.74 g/mol
Exact Mass544.35
IUPAC Name5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(CCCCC1CCCCC1)NC1CCc2nc[nH]c2C1.O=C(Nc1ccccc1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C18H29N3O.C14H15N3O/c22-18(9-5-4-8-14-6-2-1-3-7-14)21-15-10-11-16-17(12-15)20-13-19-16;18-14(17-11-4-2-1-3-5-11)10-6-7-12-13(8-10)16-9-15-12/h13-15H,1-12H2,(H,19,20)(H,21,22);1-5,9-10H,6-8H2,(H,15,16)(H,17,18)
InChIKeyFQTCDVXSLSKEMT-UHFFFAOYSA-N
XLogP5.68
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
N-(2-acetylphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;but-2-enedioic acid
CID 70055740
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 10683521
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide
CID 136543805
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977
N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680621
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730
(5S)-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661137
(E)-but-2-enedioic acid;3,4-dihydro-2H-quinolin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 18985205
7-cyclohexylheptanoic acid
CID 71560336

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 142084816) is 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(CCCCC1CCCCC1)NC1CCc2nc[nH]c2C1.O=C(Nc1ccccc1)C1CCc2nc[nH]c2C1.
What is the InChIKey of 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is FQTCDVXSLSKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.C14H15N3O/c22-18(9-5-4-8-14-6-2-1-3-7-14)21-15-10-11-16-17(12-15)20-13-19-16;18-14(17-11-4-2-1-3-5-11)10-6-7-12-13(8-10)16-9-15-12/h13-15H,1-12H2,(H,19,20)(H,21,22);1-5,9-10H,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 544.74 g/mol, XLogP of 5.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pentanamide;N-phenyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 142084816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).