[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine

C16H15FN4 — CID 114324618

IUPAC[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccn1
InChIInChI=1S/C16H15FN4/c17-11-1-4-15-14(8-11)20-16(21(15)13-2-3-13)10-5-6-19-12(7-10)9-18/h1,4-8,13H,2-3,9,18H2
InChIKeyHSZDSEFMUITPQW-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.03
Rot. Bonds3

About [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine

[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine (PubChem CID 114324618) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
PubChem CID114324618
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccn1
InChIInChI=1S/C16H15FN4/c17-11-1-4-15-14(8-11)20-16(21(15)13-2-3-13)10-5-6-19-12(7-10)9-18/h1,4-8,13H,2-3,9,18H2
InChIKeyHSZDSEFMUITPQW-UHFFFAOYSA-N
XLogP3.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
CID 107812783
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784546
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380200
1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole
CID 155530085

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine (CID 114324618) is [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine is NCc1cc(-c2nc3cc(F)ccc3n2C2CC2)ccn1.
What is the InChIKey of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
The InChIKey is HSZDSEFMUITPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-11-1-4-15-14(8-11)20-16(21(15)13-2-3-13)10-5-6-19-12(7-10)9-18/h1,4-8,13H,2-3,9,18H2.
What are the key properties of [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine?
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine has a molecular weight of 282.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114324618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).