3-(benzimidazol-1-yl)-2-methylpropanamide

C11H13N3O — CID 112688309

IUPAC3-(benzimidazol-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc2ccccc21)C(N)=O
InChIInChI=1S/C11H13N3O/c1-8(11(12)15)6-14-7-13-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H2,12,15)
InChIKeyNHFAISMDEZULRF-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.16
Rot. Bonds3

About 3-(benzimidazol-1-yl)-2-methylpropanamide

3-(benzimidazol-1-yl)-2-methylpropanamide (PubChem CID 112688309) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-2-methylpropanamide
PubChem CID112688309
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(benzimidazol-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc2ccccc21)C(N)=O
InChIInChI=1S/C11H13N3O/c1-8(11(12)15)6-14-7-13-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H2,12,15)
InChIKeyNHFAISMDEZULRF-UHFFFAOYSA-N
XLogP1.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide
CID 63039363
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
(3S,4R)-5-(benzimidazol-1-yl)-4-hydroxy-3-methylpentan-2-one
CID 166448813
methyl 3-(benzimidazol-1-yl)-2-phenylpropanoate
CID 64567462
2-acetamido-3-(benzimidazol-1-yl)propanoic acid
CID 64583290
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
CID 3775209
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-2-methylpropanamide (CID 112688309) is 3-(benzimidazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-2-methylpropanamide is CC(Cn1cnc2ccccc21)C(N)=O.
What is the InChIKey of 3-(benzimidazol-1-yl)-2-methylpropanamide?
The InChIKey is NHFAISMDEZULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(11(12)15)6-14-7-13-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H2,12,15).
What are the key properties of 3-(benzimidazol-1-yl)-2-methylpropanamide?
3-(benzimidazol-1-yl)-2-methylpropanamide has a molecular weight of 203.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 112688309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).