1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole

C16H21FN4 — CID 62388618

IUPAC1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole
SMILESCC(c1nc2ccc(F)cc2n1C1CC1)N1CCNCC1
InChIInChI=1S/C16H21FN4/c1-11(20-8-6-18-7-9-20)16-19-14-5-2-12(17)10-15(14)21(16)13-3-4-13/h2,5,10-11,13,18H,3-4,6-9H2,1H3
InChIKeyUKDZVIFDVPLFNE-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.48
Rot. Bonds3

About 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole

1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole (PubChem CID 62388618) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole
PubChem CID62388618
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole
SMILESCC(c1nc2ccc(F)cc2n1C1CC1)N1CCNCC1
InChIInChI=1S/C16H21FN4/c1-11(20-8-6-18-7-9-20)16-19-14-5-2-12(17)10-15(14)21(16)13-3-4-13/h2,5,10-11,13,18H,3-4,6-9H2,1H3
InChIKeyUKDZVIFDVPLFNE-UHFFFAOYSA-N
XLogP2.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-chloroethyl)-6-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 62377544
2-(1-chloroethyl)-1-cycloheptyl-6-fluorobenzimidazole
CID 63545031
1-cyclopropyl-2-(diethoxymethyl)-6-fluorobenzimidazole
CID 63772330
2-(1-chloroethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377905
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
cyclohexyl-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62388960
(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-thiophen-2-ylmethanamine
CID 115284651
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63134818
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole
CID 64793788

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole (CID 62388618) is 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole is CC(c1nc2ccc(F)cc2n1C1CC1)N1CCNCC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole?
The InChIKey is UKDZVIFDVPLFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-11(20-8-6-18-7-9-20)16-19-14-5-2-12(17)10-15(14)21(16)13-3-4-13/h2,5,10-11,13,18H,3-4,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole?
1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole has a molecular weight of 288.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole is sourced from PubChem (CID 62388618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).