6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine

C14H13FN4O — CID 103294733

IUPAC6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
SMILESCOc1ncccc1CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H13FN4O/c1-20-13-9(3-2-6-16-13)8-17-14-18-11-5-4-10(15)7-12(11)19-14/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyYQMSAIKJKWHQNR-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.72
Rot. Bonds4

About 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine

6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 103294733) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
PubChem CID103294733
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
SMILESCOc1ncccc1CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H13FN4O/c1-20-13-9(3-2-6-16-13)8-17-14-18-11-5-4-10(15)7-12(11)19-14/h2-7H,8H2,1H3,(H2,17,18,19)
InChIKeyYQMSAIKJKWHQNR-UHFFFAOYSA-N
XLogP2.72
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
CID 11337855
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103294777
6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103295035
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
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine (CID 103294733) is 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine is COc1ncccc1CNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is YQMSAIKJKWHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-20-13-9(3-2-6-16-13)8-17-14-18-11-5-4-10(15)7-12(11)19-14/h2-7H,8H2,1H3,(H2,17,18,19).
What are the key properties of 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine?
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 272.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).