N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

C16H22N4O — CID 135156790

IUPACN-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide
SMILESCCN(C(=O)c1nc2ccccc2[nH]1)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C16H22N4O/c1-2-20(12-7-5-6-11(17)10-12)16(21)15-18-13-8-3-4-9-14(13)19-15/h3-4,8-9,11-12H,2,5-7,10,17H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyXQCHGCKIQYTKMD-NEPJUHHUSA-N
MW286.38 g/mol
LogP2.29
Rot. Bonds3

About N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide (PubChem CID 135156790) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide
PubChem CID135156790
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide
SMILESCCN(C(=O)c1nc2ccccc2[nH]1)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C16H22N4O/c1-2-20(12-7-5-6-11(17)10-12)16(21)15-18-13-8-3-4-9-14(13)19-15/h3-4,8-9,11-12H,2,5-7,10,17H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyXQCHGCKIQYTKMD-NEPJUHHUSA-N
XLogP2.29
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,3R)-3-aminocyclohexyl]-6-azido-N-ethyl-1H-benzimidazole-2-carboxamide
CID 135170863
CID 174100463
CID 174100463
N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 135170985
N-ethyl-N-[(1S)-3-[(4-fluorophenyl)methylamino]cyclohex-2-en-1-yl]-1H-benzimidazole-2-carboxamide
CID 155076743
N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
CID 99927726
3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113
N-ethyl-N-[(3R,5S)-5-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-1H-benzimidazole-2-carboxamide
CID 135156814
N-[(1S,3R)-3-(1-benzofuran-2-ylmethylamino)cyclohexyl]-N-ethyl-6-isocyano-1H-benzimidazole-2-carboxamide
CID 155602429
6-amino-N-ethyl-N-[(1S,3R)-3-[(4-prop-2-ynoxyphenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 135156911
N-[(1S,3R)-3-aminocyclohexyl]-2-[(4-chlorophenyl)methoxy]-N-ethylbenzamide
CID 72545745
N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride
CID 68950637

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide (CID 135156790) is N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide is CCN(C(=O)c1nc2ccccc2[nH]1)[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide?
The InChIKey is XQCHGCKIQYTKMD-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20(12-7-5-6-11(17)10-12)16(21)15-18-13-8-3-4-9-14(13)19-15/h3-4,8-9,11-12H,2,5-7,10,17H2,1H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide?
N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 135156790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).