N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H23N3O — CID 90640134

IUPACN-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C15H23N3O/c19-15(16-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)18-10-17-13/h10-12H,1-9H2,(H,16,19)(H,17,18)
InChIKeyMOPPSNCCFBRSOX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds3

About N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640134) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640134
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1CCCCC1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C15H23N3O/c19-15(16-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)18-10-17-13/h10-12H,1-9H2,(H,16,19)(H,17,18)
InChIKeyMOPPSNCCFBRSOX-UHFFFAOYSA-N
XLogP2.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640134) is N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NCC1CCCCC1)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is MOPPSNCCFBRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(16-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)18-10-17-13/h10-12H,1-9H2,(H,16,19)(H,17,18).
What are the key properties of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).