N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide

C14H17N3O — CID 110779226

IUPACN-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CCC3)ccc2n1C
InChIInChI=1S/C14H17N3O/c1-9-15-12-8-11(6-7-13(12)17(9)2)16-14(18)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H,16,18)
InChIKeyBYBLZBYICVBJKI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds2

About N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide

N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide (PubChem CID 110779226) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
PubChem CID110779226
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CCC3)ccc2n1C
InChIInChI=1S/C14H17N3O/c1-9-15-12-8-11(6-7-13(12)17(9)2)16-14(18)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H,16,18)
InChIKeyBYBLZBYICVBJKI-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218632
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(1,2-dimethylbenzimidazol-5-yl)-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 66554764
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 135638530
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218678
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993673
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17244499
N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]cyclopentanecarboxamide
CID 46270354

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide (CID 110779226) is N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide is Cc1nc2cc(NC(=O)C3CCC3)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide?
The InChIKey is BYBLZBYICVBJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-15-12-8-11(6-7-13(12)17(9)2)16-14(18)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide?
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide is sourced from PubChem (CID 110779226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).