(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide

C18H23N3O — CID 118941523

IUPAC(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C18H23N3O/c1-11-7-8-14-15(9-11)21(12-5-4-6-12)17(19-14)20-16(22)13-10-18(13,2)3/h7-9,12-13H,4-6,10H2,1-3H3,(H,19,20,22)/t13-/m1/s1
InChIKeyHKQCVZABQVNTFK-CYBMUJFWSA-N
MW297.40 g/mol
LogP4.05
Rot. Bonds3

About (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 118941523) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID118941523
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C18H23N3O/c1-11-7-8-14-15(9-11)21(12-5-4-6-12)17(19-14)20-16(22)13-10-18(13,2)3/h7-9,12-13H,4-6,10H2,1-3H3,(H,19,20,22)/t13-/m1/s1
InChIKeyHKQCVZABQVNTFK-CYBMUJFWSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118941503
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide
CID 139304056
(1-cyclopropyl-6-methylbenzimidazol-2-yl)hydrazine
CID 115059619
(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide
CID 159583952
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide
CID 118938182
cis-(1S,2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 170061696
[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 46109071
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2-dimethylcyclopropyl)acetamide;methane
CID 159980573
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 118938264
(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
CID 146420832

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide (CID 118941523) is (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide is Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(C3CCC3)c2c1.
What is the InChIKey of (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is HKQCVZABQVNTFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11-7-8-14-15(9-11)21(12-5-4-6-12)17(19-14)20-16(22)13-10-18(13,2)3/h7-9,12-13H,4-6,10H2,1-3H3,(H,19,20,22)/t13-/m1/s1.
What are the key properties of (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 118941523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).