2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine

C14H18FN3 — CID 62818968

IUPAC2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C14H18FN3/c1-14(2,16-3)13-17-12-10(15)5-4-6-11(12)18(13)9-7-8-9/h4-6,9,16H,7-8H2,1-3H3
InChIKeyDFZKYGFDWCFXDH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.96
Rot. Bonds3

About 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine

2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine (PubChem CID 62818968) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine
PubChem CID62818968
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C14H18FN3/c1-14(2,16-3)13-17-12-10(15)5-4-6-11(12)18(13)9-7-8-9/h4-6,9,16H,7-8H2,1-3H3
InChIKeyDFZKYGFDWCFXDH-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine (CID 62818968) is 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine is CNC(C)(C)c1nc2c(F)cccc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is DFZKYGFDWCFXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-14(2,16-3)13-17-12-10(15)5-4-6-11(12)18(13)9-7-8-9/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine?
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 62818968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).