(6-fluoro-1-methylbenzimidazol-2-yl)methanamine

C9H10FN3 — CID 62377229

IUPAC(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
SMILESCn1c(CN)nc2ccc(F)cc21
InChIInChI=1S/C9H10FN3/c1-13-8-4-6(10)2-3-7(8)12-9(13)5-11/h2-4H,5,11H2,1H3
InChIKeyGWDVYMJGXPRCGT-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.17
Rot. Bonds1

About (6-fluoro-1-methylbenzimidazol-2-yl)methanamine

(6-fluoro-1-methylbenzimidazol-2-yl)methanamine (PubChem CID 62377229) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is (6-fluoro-1-methylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
PubChem CID62377229
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
SMILESCn1c(CN)nc2ccc(F)cc21
InChIInChI=1S/C9H10FN3/c1-13-8-4-6(10)2-3-7(8)12-9(13)5-11/h2-4H,5,11H2,1H3
InChIKeyGWDVYMJGXPRCGT-UHFFFAOYSA-N
XLogP1.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The IUPAC name of (6-fluoro-1-methylbenzimidazol-2-yl)methanamine (CID 62377229) is (6-fluoro-1-methylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (6-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (6-fluoro-1-methylbenzimidazol-2-yl)methanamine is Cn1c(CN)nc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The InChIKey is GWDVYMJGXPRCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-13-8-4-6(10)2-3-7(8)12-9(13)5-11/h2-4H,5,11H2,1H3.
What are the key properties of (6-fluoro-1-methylbenzimidazol-2-yl)methanamine?
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine has a molecular weight of 179.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-methylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 62377229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).