(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine

C9H10FN3 — CID 149051203

IUPAC(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2cc(F)c(CN)cc2[nH]1
InChIInChI=1S/C9H10FN3/c1-5-12-8-2-6(4-11)7(10)3-9(8)13-5/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyQJVYFGLEDCXEEW-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.47
Rot. Bonds1

About (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine

(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 149051203) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID149051203
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2cc(F)c(CN)cc2[nH]1
InChIInChI=1S/C9H10FN3/c1-5-12-8-2-6(4-11)7(10)3-9(8)13-5/h2-3H,4,11H2,1H3,(H,12,13)
InChIKeyQJVYFGLEDCXEEW-UHFFFAOYSA-N
XLogP1.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
CID 83884153
2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol
CID 83892414
3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
CID 80539436
2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 83903030
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine
CID 162553480
5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline
CID 143871450
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
ethane;3-ethyl-6-fluoro-7-(hydroxymethyl)-1H-quinoxalin-2-one
CID 168995296
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
6-chloro-5-iodo-2-methyl-1H-benzimidazole
CID 152925781
6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium
CID 58690905

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine (CID 149051203) is (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine is Cc1nc2cc(F)c(CN)cc2[nH]1.
What is the InChIKey of (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is QJVYFGLEDCXEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-5-12-8-2-6(4-11)7(10)3-9(8)13-5/h2-3H,4,11H2,1H3,(H,12,13).
What are the key properties of (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine?
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 179.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 149051203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).