trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide

C12H13N3O2 — CID 51532166

IUPACtrans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H13N3O2/c1-6-4-8(6)11(16)13-7-2-3-9-10(5-7)15-12(17)14-9/h2-3,5-6,8H,4H2,1H3,(H,13,16)(H2,14,15,17)/t6-,8-/m1/s1
InChIKeyAEBRSTREHWRVOW-HTRCEHHLSA-N
MW231.25 g/mol
LogP1.45
Rot. Bonds2

About trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 51532166) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
PubChem CID51532166
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nametrans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H13N3O2/c1-6-4-8(6)11(16)13-7-2-3-9-10(5-7)15-12(17)14-9/h2-3,5-6,8H,4H2,1H3,(H,13,16)(H2,14,15,17)/t6-,8-/m1/s1
InChIKeyAEBRSTREHWRVOW-HTRCEHHLSA-N
XLogP1.45
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

trans-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2097887
cis-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 2097889
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclohexane-1-carboxamide
CID 42982642
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 98445831
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
1-[(1R,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615400
1-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615405
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide (CID 51532166) is trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is AEBRSTREHWRVOW-HTRCEHHLSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-6-4-8(6)11(16)13-7-2-3-9-10(5-7)15-12(17)14-9/h2-3,5-6,8H,4H2,1H3,(H,13,16)(H2,14,15,17)/t6-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51532166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).