2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole

C17H20ClFN2 — CID 103593534

IUPAC2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(C(C)Cl)n2C(C1CC1)C1CC1
InChIInChI=1S/C17H20ClFN2/c1-9-7-15-14(8-13(9)19)20-17(10(2)18)21(15)16(11-3-4-11)12-5-6-12/h7-8,10-12,16H,3-6H2,1-2H3
InChIKeyMAAIPIQGAGNPFK-UHFFFAOYSA-N
MW306.81 g/mol
LogP5.14
Rot. Bonds4

About 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole

2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole (PubChem CID 103593534) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole
PubChem CID103593534
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole
SMILESCc1cc2c(cc1F)nc(C(C)Cl)n2C(C1CC1)C1CC1
InChIInChI=1S/C17H20ClFN2/c1-9-7-15-14(8-13(9)19)20-17(10(2)18)21(15)16(11-3-4-11)12-5-6-12/h7-8,10-12,16H,3-6H2,1-2H3
InChIKeyMAAIPIQGAGNPFK-UHFFFAOYSA-N
XLogP5.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.81
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-1-(1-cyclopentylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593761
6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 115471255
2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081644
2-(1-chloroethyl)-5-fluoro-1-heptan-2-yl-6-methylbenzimidazole
CID 103593499
2-(1-chloroethyl)-1-(4-ethylsulfanylbutan-2-yl)-5-fluoro-6-methylbenzimidazole
CID 103594064
2-[2-(1-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-methylpropanamide
CID 103593496
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(oxan-4-yl)benzimidazole
CID 103593446
2-(1-chloroethyl)-1-(2-cyclopropylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593825
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
2-(1-chloroethyl)-5-fluoro-N,N,6-trimethylbenzimidazol-1-amine
CID 103593916
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(thiolan-3-ylmethyl)benzimidazole
CID 107297304
2-(1-chloroethyl)-5-fluoro-6-methyl-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414438

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole (CID 103593534) is 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole is Cc1cc2c(cc1F)nc(C(C)Cl)n2C(C1CC1)C1CC1.
What is the InChIKey of 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole?
The InChIKey is MAAIPIQGAGNPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-9-7-15-14(8-13(9)19)20-17(10(2)18)21(15)16(11-3-4-11)12-5-6-12/h7-8,10-12,16H,3-6H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole?
2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole has a molecular weight of 306.81 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(dicyclopropylmethyl)-5-fluoro-6-methylbenzimidazole is sourced from PubChem (CID 103593534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).