6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine

C14H13FN4 — CID 103825773

IUPAC6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
SMILESCn1c(CNc2ccc(F)nc2)nc2ccccc21
InChIInChI=1S/C14H13FN4/c1-19-12-5-3-2-4-11(12)18-14(19)9-16-10-6-7-13(15)17-8-10/h2-8,16H,9H2,1H3
InChIKeyVUDNKTPUAFCBHX-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.72
Rot. Bonds3

About 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine

6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine (PubChem CID 103825773) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
PubChem CID103825773
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
SMILESCn1c(CNc2ccc(F)nc2)nc2ccccc21
InChIInChI=1S/C14H13FN4/c1-19-12-5-3-2-4-11(12)18-14(19)9-16-10-6-7-13(15)17-8-10/h2-8,16H,9H2,1H3
InChIKeyVUDNKTPUAFCBHX-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107633206
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107598333
N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 78911712
2-chloro-5-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756584
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 10252276
5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 75385212
2-methyl-3-[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166237744

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine (CID 103825773) is 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine is Cn1c(CNc2ccc(F)nc2)nc2ccccc21.
What is the InChIKey of 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine?
The InChIKey is VUDNKTPUAFCBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-19-12-5-3-2-4-11(12)18-14(19)9-16-10-6-7-13(15)17-8-10/h2-8,16H,9H2,1H3.
What are the key properties of 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine?
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine has a molecular weight of 256.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 103825773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).