N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide

C13H15FN4O — CID 103295026

IUPACN-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
SMILESO=C(CCNc1nc2ccc(F)cc2[nH]1)NC1CC1
InChIInChI=1S/C13H15FN4O/c14-8-1-4-10-11(7-8)18-13(17-10)15-6-5-12(19)16-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,16,19)(H2,15,17,18)
InChIKeyOFDXVXJSDYRXOW-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.78
Rot. Bonds5

About N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide

N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide (PubChem CID 103295026) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
PubChem CID103295026
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
SMILESO=C(CCNc1nc2ccc(F)cc2[nH]1)NC1CC1
InChIInChI=1S/C13H15FN4O/c14-8-1-4-10-11(7-8)18-13(17-10)15-6-5-12(19)16-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,16,19)(H2,15,17,18)
InChIKeyOFDXVXJSDYRXOW-UHFFFAOYSA-N
XLogP1.78
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]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

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 103295044

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide (CID 103295026) is N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide is O=C(CCNc1nc2ccc(F)cc2[nH]1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide?
The InChIKey is OFDXVXJSDYRXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-8-1-4-10-11(7-8)18-13(17-10)15-6-5-12(19)16-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,16,19)(H2,15,17,18).
What are the key properties of N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide?
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide has a molecular weight of 262.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide is sourced from PubChem (CID 103295026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).