3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide

C14H20N4O — CID 115153098

IUPAC3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
SMILESCc1nc2ccc(CCN(C)C(=O)CCN)cc2[nH]1
InChIInChI=1S/C14H20N4O/c1-10-16-12-4-3-11(9-13(12)17-10)6-8-18(2)14(19)5-7-15/h3-4,9H,5-8,15H2,1-2H3,(H,16,17)
InChIKeyMRVLKUIEHWFQTE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.22
Rot. Bonds5

About 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide

3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide (PubChem CID 115153098) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
PubChem CID115153098
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
SMILESCc1nc2ccc(CCN(C)C(=O)CCN)cc2[nH]1
InChIInChI=1S/C14H20N4O/c1-10-16-12-4-3-11(9-13(12)17-10)6-8-18(2)14(19)5-7-15/h3-4,9H,5-8,15H2,1-2H3,(H,16,17)
InChIKeyMRVLKUIEHWFQTE-UHFFFAOYSA-N
XLogP1.22
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide 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

2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine
CID 117040485
3-amino-N-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115153102
methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
CID 115233172
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
CID 115155498
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115153099
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide (CID 115153098) is 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide is Cc1nc2ccc(CCN(C)C(=O)CCN)cc2[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
The InChIKey is MRVLKUIEHWFQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-16-12-4-3-11(9-13(12)17-10)6-8-18(2)14(19)5-7-15/h3-4,9H,5-8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide?
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115153098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).