cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide

C17H15N3O — CID 840089

IUPACcis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H15N3O/c21-16(13-10-12(13)11-6-2-1-3-7-11)20-17-18-14-8-4-5-9-15(14)19-17/h1-9,12-13H,10H2,(H2,18,19,20,21)/t12-,13-/m1/s1
InChIKeyXSIZKMVNFSTJAG-CHWSQXEVSA-N
MW277.33 g/mol
LogP3.31
Rot. Bonds3

About cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 840089) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID840089
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Namecis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H15N3O/c21-16(13-10-12(13)11-6-2-1-3-7-11)20-17-18-14-8-4-5-9-15(14)19-17/h1-9,12-13H,10H2,(H2,18,19,20,21)/t12-,13-/m1/s1
InChIKeyXSIZKMVNFSTJAG-CHWSQXEVSA-N
XLogP3.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 90336064
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
CID 144524994
methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate
CID 90331343
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
CID 71847605
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide (CID 840089) is cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XSIZKMVNFSTJAG-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H15N3O/c21-16(13-10-12(13)11-6-2-1-3-7-11)20-17-18-14-8-4-5-9-15(14)19-17/h1-9,12-13H,10H2,(H2,18,19,20,21)/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 840089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).