3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide

C14H20N4O — CID 115153026

IUPAC3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
SMILESCc1nc2cc(CCNC(=O)CCN)ccc2n1C
InChIInChI=1S/C14H20N4O/c1-10-17-12-9-11(3-4-13(12)18(10)2)6-8-16-14(19)5-7-15/h3-4,9H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyMZAXJHXEHXDQPC-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide

3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide (PubChem CID 115153026) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
PubChem CID115153026
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
SMILESCc1nc2cc(CCNC(=O)CCN)ccc2n1C
InChIInChI=1S/C14H20N4O/c1-10-17-12-9-11(3-4-13(12)18(10)2)6-8-16-14(19)5-7-15/h3-4,9H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyMZAXJHXEHXDQPC-UHFFFAOYSA-N
XLogP0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(1,2-dimethylbenzimidazol-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-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine
CID 115201448
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
CID 96675259
1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
CID 110796185

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide (CID 115153026) is 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide is Cc1nc2cc(CCNC(=O)CCN)ccc2n1C.
What is the InChIKey of 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is MZAXJHXEHXDQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-17-12-9-11(3-4-13(12)18(10)2)6-8-16-14(19)5-7-15/h3-4,9H,5-8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide?
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115153026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).