[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

C23H23Cl2F2N3O2 — CID 145206457

IUPAC[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C(C)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C
InChIInChI=1S/C23H23Cl2F2N3O2/c1-13-10-14(23(2,26)27)11-18-21(13)28-19(29(18)3)12-16-17(24)5-4-15(20(16)25)22(31)30-6-8-32-9-7-30/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyHUWAAJFDJVTIPM-UHFFFAOYSA-N
MW482.36 g/mol
LogP5.36
Rot. Bonds4

About [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 145206457) has the molecular formula C23H23Cl2F2N3O2 and a molecular weight of 482.36 g/mol. Its IUPAC name is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID145206457
Molecular FormulaC23H23Cl2F2N3O2
Molecular Weight482.36 g/mol
Exact Mass481.11
IUPAC Name[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C(C)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C
InChIInChI=1S/C23H23Cl2F2N3O2/c1-13-10-14(23(2,26)27)11-18-21(13)28-19(29(18)3)12-16-17(24)5-4-15(20(16)25)22(31)30-6-8-32-9-7-30/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyHUWAAJFDJVTIPM-UHFFFAOYSA-N
XLogP5.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 1121185
Morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 2823608
2-(2,6-Dichloro-phenylamino)-1,7-dimethyl-6-(3-morpholin-4-yl-propyl)-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 10864012
2-(2,6-Dichlorophenylamino)-1,7-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-1,8-dihydro-imidazo[4,5-h]isoquinoline-9-one
CID 10885591
2-(2,6-Dichloro-phenylamino)-1,7-dimethyl-6-(3-morpholin-4-yl-3-oxo-propyl)-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 11730954
N-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 16030051
N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 16030085
[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 49785284
7-[(2,4-Dichlorophenyl)carbonyl]-3-(4-fluorophenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 49785458
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-1-methyl-6-morpholin-4-yl-N-(2,2,3,3,3-pentafluoropropyl)benzimidazole-5-carboxamide
CID 57524462
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-1-(2,2-difluoroethyl)-6-morpholin-4-yl-N-(2,2,3,3,3-pentafluoropropyl)benzimidazole-5-carboxamide
CID 57524630
4-chloro-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]-(2,2,2-trifluoroacetyl)amino]methyl]-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide
CID 73330523

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (CID 145206457) is [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is Cc1cc(C(C)(F)F)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)n2C.
What is the InChIKey of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HUWAAJFDJVTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2F2N3O2/c1-13-10-14(23(2,26)27)11-18-21(13)28-19(29(18)3)12-16-17(24)5-4-15(20(16)25)22(31)30-6-8-32-9-7-30/h4-5,10-11H,6-9,12H2,1-3H3.
What are the key properties of [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 482.36 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1,4-dimethylbenzimidazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 145206457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).