N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine

C15H15FN4 — CID 103825866

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
SMILESCCn1c(CNc2ccc(F)nc2)nc2ccccc21
InChIInChI=1S/C15H15FN4/c1-2-20-13-6-4-3-5-12(13)19-15(20)10-17-11-7-8-14(16)18-9-11/h3-9,17H,2,10H2,1H3
InChIKeyDBNGPTZIQAWZAP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.20
Rot. Bonds4

About N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine (PubChem CID 103825866) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
PubChem CID103825866
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
SMILESCCn1c(CNc2ccc(F)nc2)nc2ccccc21
InChIInChI=1S/C15H15FN4/c1-2-20-13-6-4-3-5-12(13)19-15(20)10-17-11-7-8-14(16)18-9-11/h3-9,17H,2,10H2,1H3
InChIKeyDBNGPTZIQAWZAP-UHFFFAOYSA-N
XLogP3.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.20
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

6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
3-[(1-ethylbenzimidazol-2-yl)methylamino]benzonitrile
CID 61020625
4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
CID 61020055
4-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 63422265
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
CID 115621638
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine (CID 103825866) is N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine is CCn1c(CNc2ccc(F)nc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is DBNGPTZIQAWZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-2-20-13-6-4-3-5-12(13)19-15(20)10-17-11-7-8-14(16)18-9-11/h3-9,17H,2,10H2,1H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 270.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 103825866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).