N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H21N3O — CID 90640002

IUPACN-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H21N3O/c18-14(17-11-4-2-1-3-5-11)10-6-7-12-13(8-10)16-9-15-12/h9-11H,1-8H2,(H,15,16)(H,17,18)
InChIKeyUACOVTCDBSOAML-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds2

About N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640002) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640002
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H21N3O/c18-14(17-11-4-2-1-3-5-11)10-6-7-12-13(8-10)16-9-15-12/h9-11H,1-8H2,(H,15,16)(H,17,18)
InChIKeyUACOVTCDBSOAML-UHFFFAOYSA-N
XLogP1.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640134
(5S)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662262
(5R)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662247
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977
N-(2,2-diethoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639994
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
(5S)-N-[(2R)-1-methoxypropan-2-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660213
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
(5S)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662612

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640002) is N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NC1CCCCC1)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is UACOVTCDBSOAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(17-11-4-2-1-3-5-11)10-6-7-12-13(8-10)16-9-15-12/h9-11H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).