2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide

C15H22N4O — CID 60677060

IUPAC2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H22N4O/c1-4-9-16-15(20)11(2)17-10-14-18-12-7-5-6-8-13(12)19(14)3/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyQCWCXIXTWRQLPR-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.58
Rot. Bonds6

About 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide

2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide (PubChem CID 60677060) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
PubChem CID60677060
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H22N4O/c1-4-9-16-15(20)11(2)17-10-14-18-12-7-5-6-8-13(12)19(14)3/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyQCWCXIXTWRQLPR-UHFFFAOYSA-N
XLogP1.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111227832
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
CID 51073455
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
N-butan-2-yl-3-[(1-methylbenzimidazol-2-yl)methylamino]propanamide
CID 63002029
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide (CID 60677060) is 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1nc2ccccc2n1C.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is QCWCXIXTWRQLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-9-16-15(20)11(2)17-10-14-18-12-7-5-6-8-13(12)19(14)3/h5-8,11,17H,4,9-10H2,1-3H3,(H,16,20).
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide?
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 274.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 60677060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).