N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

C18H18N4O2 — CID 118938260

IUPACN-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(C)O)n(C3=CC=C3)c2cc1C#N
InChIInChI=1S/C18H18N4O2/c1-11-7-14-15(8-12(11)10-19)22(13-5-4-6-13)17(20-14)21-16(23)9-18(2,3)24/h4-8,24H,9H2,1-3H3,(H,20,21,23)
InChIKeyLAIHVVNRKPRZHX-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.73
Rot. Bonds4

About N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide

N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 118938260) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID118938260
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(C)O)n(C3=CC=C3)c2cc1C#N
InChIInChI=1S/C18H18N4O2/c1-11-7-14-15(8-12(11)10-19)22(13-5-4-6-13)17(20-14)21-16(23)9-18(2,3)24/h4-8,24H,9H2,1-3H3,(H,20,21,23)
InChIKeyLAIHVVNRKPRZHX-UHFFFAOYSA-N
XLogP2.73
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(cyclobutadienyl)-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate
CID 118938358
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118938261
N-[3-(cyclobutadienyl)-5-ethynylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 118692640
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-methoxy-3-methylbutanamide
CID 118692496
(2R)-N-[6-cyano-1-(cyclobutadienyl)benzimidazol-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 118938169
N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938210
N-(6-cyano-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
CID 130359793
N-[2-[(3-cyano-4-methylphenyl)carbamoylamino]-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]-N,3,3-trimethylbutanamide
CID 71258490
N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 118938318
N-[1-(cyclobutadienyl)-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide
CID 118938398
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4-dimethylpentanamide
CID 118692455

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide (CID 118938260) is N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is Cc1cc2nc(NC(=O)CC(C)(C)O)n(C3=CC=C3)c2cc1C#N.
What is the InChIKey of N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is LAIHVVNRKPRZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-7-14-15(8-12(11)10-19)22(13-5-4-6-13)17(20-14)21-16(23)9-18(2,3)24/h4-8,24H,9H2,1-3H3,(H,20,21,23).
What are the key properties of N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide?
N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 322.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 118938260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).