3-(2-propan-2-ylbenzimidazol-1-yl)propanamide

C13H17N3O — CID 3627686

IUPAC3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
SMILESCC(C)c1nc2ccccc2n1CCC(N)=O
InChIInChI=1S/C13H17N3O/c1-9(2)13-15-10-5-3-4-6-11(10)16(13)8-7-12(14)17/h3-6,9H,7-8H2,1-2H3,(H2,14,17)
InChIKeyZLWKIJXFQUXLIX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

About 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide

3-(2-propan-2-ylbenzimidazol-1-yl)propanamide (PubChem CID 3627686) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
PubChem CID3627686
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
SMILESCC(C)c1nc2ccccc2n1CCC(N)=O
InChIInChI=1S/C13H17N3O/c1-9(2)13-15-10-5-3-4-6-11(10)16(13)8-7-12(14)17/h3-6,9H,7-8H2,1-2H3,(H2,14,17)
InChIKeyZLWKIJXFQUXLIX-UHFFFAOYSA-N
XLogP2.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 82150212
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 157013188
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
The IUPAC name of 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide (CID 3627686) is 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
The canonical SMILES for 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide is CC(C)c1nc2ccccc2n1CCC(N)=O.
What is the InChIKey of 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
The InChIKey is ZLWKIJXFQUXLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)13-15-10-5-3-4-6-11(10)16(13)8-7-12(14)17/h3-6,9H,7-8H2,1-2H3,(H2,14,17).
What are the key properties of 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide?
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide has a molecular weight of 231.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 3627686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).