3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide

C14H17FN4O — CID 103593026

IUPAC3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
SMILESCc1cc2c(cc1F)nc(N)n2CCC(=O)NC1CC1
InChIInChI=1S/C14H17FN4O/c1-8-6-12-11(7-10(8)15)18-14(16)19(12)5-4-13(20)17-9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,16,18)(H,17,20)
InChIKeyBDDQCHWCOYGSEE-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.73
Rot. Bonds4

About 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide

3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide (PubChem CID 103593026) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
PubChem CID103593026
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
SMILESCc1cc2c(cc1F)nc(N)n2CCC(=O)NC1CC1
InChIInChI=1S/C14H17FN4O/c1-8-6-12-11(7-10(8)15)18-14(16)19(12)5-4-13(20)17-9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,16,18)(H,17,20)
InChIKeyBDDQCHWCOYGSEE-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 116738415
3-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 103593840
3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 79400989
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592949
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 103593098
5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 103592850
3-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79377835
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide (CID 103593026) is 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide is Cc1cc2c(cc1F)nc(N)n2CCC(=O)NC1CC1.
What is the InChIKey of 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide?
The InChIKey is BDDQCHWCOYGSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8-6-12-11(7-10(8)15)18-14(16)19(12)5-4-13(20)17-9-2-3-9/h6-7,9H,2-5H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide?
3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide has a molecular weight of 276.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 103593026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).