3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide

C13H18N4O — CID 113341898

IUPAC3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-9(2)15-12(18)7-8-14-13-16-10-5-3-4-6-11(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyASUUFWXREJNBFU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds5

About 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide

3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide (PubChem CID 113341898) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
PubChem CID113341898
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-9(2)15-12(18)7-8-14-13-16-10-5-3-4-6-11(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyASUUFWXREJNBFU-UHFFFAOYSA-N
XLogP1.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
CID 55025805
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide
CID 135270539

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide (CID 113341898) is 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide?
The InChIKey is ASUUFWXREJNBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)15-12(18)7-8-14-13-16-10-5-3-4-6-11(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H2,14,16,17).
What are the key properties of 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide?
3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113341898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).