N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide

C13H15N3O — CID 110869220

IUPACN-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H15N3O/c1-16(13(17)9-3-2-4-9)10-5-6-11-12(7-10)15-8-14-11/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyWENUGAGPEXVCDX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.33
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide

N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide (PubChem CID 110869220) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
PubChem CID110869220
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H15N3O/c1-16(13(17)9-3-2-4-9)10-5-6-11-12(7-10)15-8-14-11/h5-9H,2-4H2,1H3,(H,14,15)
InChIKeyWENUGAGPEXVCDX-UHFFFAOYSA-N
XLogP2.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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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N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
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3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
CID 115160757
N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 110866861
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
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CID 113094811

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide (CID 110869220) is N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide?
The InChIKey is WENUGAGPEXVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(13(17)9-3-2-4-9)10-5-6-11-12(7-10)15-8-14-11/h5-9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide?
N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 110869220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).