N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide

C25H20ClF2N3O — CID 66619256

IUPACN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide
SMILESO=C(NCc1ccccc1)C(C1CC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C25H20ClF2N3O/c26-18-10-8-17(9-11-18)24-30-21-12-19(27)20(28)13-22(21)31(24)23(16-6-7-16)25(32)29-14-15-4-2-1-3-5-15/h1-5,8-13,16,23H,6-7,14H2,(H,29,32)
InChIKeyGNAZWXLPLNVUMX-UHFFFAOYSA-N
MW451.90 g/mol
LogP5.90
Rot. Bonds6

About N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide

N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide (PubChem CID 66619256) has the molecular formula C25H20ClF2N3O and a molecular weight of 451.90 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide
PubChem CID66619256
Molecular FormulaC25H20ClF2N3O
Molecular Weight451.90 g/mol
Exact Mass451.13
IUPAC NameN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide
SMILESO=C(NCc1ccccc1)C(C1CC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C25H20ClF2N3O/c26-18-10-8-17(9-11-18)24-30-21-12-19(27)20(28)13-22(21)31(24)23(16-6-7-16)25(32)29-14-15-4-2-1-3-5-15/h1-5,8-13,16,23H,6-7,14H2,(H,29,32)
InChIKeyGNAZWXLPLNVUMX-UHFFFAOYSA-N
XLogP5.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.90
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide
CID 66619313
N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
CID 67371589
tert-butyl 3-[4-[[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]-3-fluorophenyl]propanoate
CID 68645286
1-[[2-cyclohexyl-2-[5,6-difluoro-2-(4-methylphenyl)benzimidazol-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68645313
4-[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethoxy]-3-fluorobenzoic acid
CID 46183723
2-(4-chlorophenyl)-1-(1-cyclohexyl-2-phenylsulfanylethyl)-5,6-difluorobenzimidazole
CID 141258345
N-benzyl-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-cyclopentyl-N-phenylacetamide
CID 69082634
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide
CID 67182338
(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68694608
[4-[3-cyclohexyl-3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propyl]benzoyl] 4-[3-cyclohexyl-3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propyl]benzoate
CID 91451650
4-[[(2S)-2-[2-(2-chloro-6-methoxy-3-pyridinyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylacetyl]amino]cyclohexane-1-carboxylic acid
CID 53320955
methyl 2-[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethoxy]pyridine-4-carboxylate
CID 66619243

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide (CID 66619256) is N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide is O=C(NCc1ccccc1)C(C1CC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21.
What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide?
The InChIKey is GNAZWXLPLNVUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O/c26-18-10-8-17(9-11-18)24-30-21-12-19(27)20(28)13-22(21)31(24)23(16-6-7-16)25(32)29-14-15-4-2-1-3-5-15/h1-5,8-13,16,23H,6-7,14H2,(H,29,32).
What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide?
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide has a molecular weight of 451.90 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 66619256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).