3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide

C12H16N4O — CID 55025805

IUPAC3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-16(2)11(17)7-8-13-12-14-9-5-3-4-6-10(9)15-12/h3-6H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyCUOHSTAABANJMG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.45
Rot. Bonds4

About 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide

3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide (PubChem CID 55025805) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
PubChem CID55025805
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-16(2)11(17)7-8-13-12-14-9-5-3-4-6-10(9)15-12/h3-6H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyCUOHSTAABANJMG-UHFFFAOYSA-N
XLogP1.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
CID 113341898
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 146123718
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55141811
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide
CID 103204116
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
CID 157412307

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide (CID 55025805) is 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide?
The InChIKey is CUOHSTAABANJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(2)11(17)7-8-13-12-14-9-5-3-4-6-10(9)15-12/h3-6H,7-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide?
3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide has a molecular weight of 232.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 55025805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).