1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone

C24H26ClFN2O4 — CID 58324255

IUPAC1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
SMILESCc1cc(Cl)ccc1Cc1c(C(=O)COCC2CC2)cc2c(ncn2CC(O)CO)c1F
InChIInChI=1S/C24H26ClFN2O4/c1-14-6-17(25)5-4-16(14)7-20-19(22(31)12-32-11-15-2-3-15)8-21-24(23(20)26)27-13-28(21)9-18(30)10-29/h4-6,8,13,15,18,29-30H,2-3,7,9-12H2,1H3
InChIKeyFPUWOPSWUFSUDS-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.69
Rot. Bonds10

About 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone

1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone (PubChem CID 58324255) has the molecular formula C24H26ClFN2O4 and a molecular weight of 460.93 g/mol. Its IUPAC name is 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone.

Molecular Properties

Compound Name1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
PubChem CID58324255
Molecular FormulaC24H26ClFN2O4
Molecular Weight460.93 g/mol
Exact Mass460.16
IUPAC Name1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
SMILESCc1cc(Cl)ccc1Cc1c(C(=O)COCC2CC2)cc2c(ncn2CC(O)CO)c1F
InChIInChI=1S/C24H26ClFN2O4/c1-14-6-17(25)5-4-16(14)7-20-19(22(31)12-32-11-15-2-3-15)8-21-24(23(20)26)27-13-28(21)9-18(30)10-29/h4-6,8,13,15,18,29-30H,2-3,7,9-12H2,1H3
InChIKeyFPUWOPSWUFSUDS-UHFFFAOYSA-N
XLogP3.69
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324344
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-(4-morpholin-4-ylbutyl)benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324203
4-[[6-[2-(cyclopropylmethoxy)acetyl]-4-fluoro-1H-benzimidazol-5-yl]methyl]-3-methylbenzonitrile
CID 58324301
1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone
CID 161092584
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone
CID 58324293
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-3-fluoro-1-(2-hydroxyethyl)pyridin-2-one
CID 58360738
1-[2-[(2-chloro-4-iodophenyl)methyl]-3,4-difluorophenyl]-2-(2,3-dihydroxypropoxy)ethanone
CID 157122660
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-but-3-enoxyethanone
CID 58324300
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-morpholin-4-ylethoxy)ethanone
CID 58324213
2-(2,3-dihydroxypropoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzoxazol-6-yl]ethanone
CID 159284362
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxy-2-methylpropoxy)-3-methylbenzimidazole-5-carboxamide;1-[6-[(4-bromo-2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-7-fluorobenzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-methylsulfanylethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-methylsulfonylethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(2-phenylsulfanylethoxy)ethanone;1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3-(2-methylpropyl)benzimidazol-5-yl]-2-(2-hydroxyethoxy)ethanone
CID 159676214
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
CID 58360709

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone?
The IUPAC name of 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone (CID 58324255) is 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone.
What is the SMILES notation for 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone?
The canonical SMILES for 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone is Cc1cc(Cl)ccc1Cc1c(C(=O)COCC2CC2)cc2c(ncn2CC(O)CO)c1F.
What is the InChIKey of 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone?
The InChIKey is FPUWOPSWUFSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O4/c1-14-6-17(25)5-4-16(14)7-20-19(22(31)12-32-11-15-2-3-15)8-21-24(23(20)26)27-13-28(21)9-18(30)10-29/h4-6,8,13,15,18,29-30H,2-3,7,9-12H2,1H3.
What are the key properties of 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone?
1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone has a molecular weight of 460.93 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone is sourced from PubChem (CID 58324255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).