N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide

C12H14N4O — CID 115158786

IUPACN-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
SMILESCN(C(=O)C1CNC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O/c1-16(12(17)8-5-13-6-8)9-2-3-10-11(4-9)15-7-14-10/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)
InChIKeyUSAKFOPJXDCFQW-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.75
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide

N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide (PubChem CID 115158786) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
PubChem CID115158786
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
SMILESCN(C(=O)C1CNC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O/c1-16(12(17)8-5-13-6-8)9-2-3-10-11(4-9)15-7-14-10/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)
InChIKeyUSAKFOPJXDCFQW-UHFFFAOYSA-N
XLogP0.75
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3H-benzimidazol-5-yl)-N-methylacetamide
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2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
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3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
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N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
CID 110869221
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 115159459
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 110866861
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide (CID 115158786) is N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide is CN(C(=O)C1CNC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide?
The InChIKey is USAKFOPJXDCFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(12(17)8-5-13-6-8)9-2-3-10-11(4-9)15-7-14-10/h2-4,7-8,13H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide?
N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 115158786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).