N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide

C18H25N3O — CID 110493118

IUPACN-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H25N3O/c1-2-3-6-13-9-11-14(12-10-13)17(22)21-18-19-15-7-4-5-8-16(15)20-18/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H2,19,20,21,22)
InChIKeyMDUSSWOVRDCVEZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.50
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide

N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide (PubChem CID 110493118) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
PubChem CID110493118
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H25N3O/c1-2-3-6-13-9-11-14(12-10-13)17(22)21-18-19-15-7-4-5-8-16(15)20-18/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H2,19,20,21,22)
InChIKeyMDUSSWOVRDCVEZ-UHFFFAOYSA-N
XLogP4.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide (CID 110493118) is N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is MDUSSWOVRDCVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-3-6-13-9-11-14(12-10-13)17(22)21-18-19-15-7-4-5-8-16(15)20-18/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 110493118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).