N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide

C25H22ClF2N3O — CID 67182338

IUPACN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide
SMILESO=C(NCc1ccccc1)C(C1CC1)C1(c2ccc(Cl)cc2)Nc2cc(F)c(F)cc2N1
InChIInChI=1S/C25H22ClF2N3O/c26-18-10-8-17(9-11-18)25(30-21-12-19(27)20(28)13-22(21)31-25)23(16-6-7-16)24(32)29-14-15-4-2-1-3-5-15/h1-5,8-13,16,23,30-31H,6-7,14H2,(H,29,32)
InChIKeyUFBKAEIRWDATRM-UHFFFAOYSA-N
MW453.92 g/mol
LogP5.65
Rot. Bonds6

About N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide

N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide (PubChem CID 67182338) has the molecular formula C25H22ClF2N3O and a molecular weight of 453.92 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide
PubChem CID67182338
Molecular FormulaC25H22ClF2N3O
Molecular Weight453.92 g/mol
Exact Mass453.14
IUPAC NameN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide
SMILESO=C(NCc1ccccc1)C(C1CC1)C1(c2ccc(Cl)cc2)Nc2cc(F)c(F)cc2N1
InChIInChI=1S/C25H22ClF2N3O/c26-18-10-8-17(9-11-18)25(30-21-12-19(27)20(28)13-22(21)31-25)23(16-6-7-16)24(32)29-14-15-4-2-1-3-5-15/h1-5,8-13,16,23,30-31H,6-7,14H2,(H,29,32)
InChIKeyUFBKAEIRWDATRM-UHFFFAOYSA-N
XLogP5.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.92
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68730718
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopropylacetamide
CID 66619256
2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68887472
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324
4-[[2-cyclohexyl-2-[5,6-difluoro-2-(4-methylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68730093
4-[2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexylethoxy]benzoic acid
CID 66619466
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215150
4-[2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexylethoxy]-3,5-dimethylbenzoic acid
CID 67182285

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide (CID 67182338) is N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide is O=C(NCc1ccccc1)C(C1CC1)C1(c2ccc(Cl)cc2)Nc2cc(F)c(F)cc2N1.
What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide?
The InChIKey is UFBKAEIRWDATRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N3O/c26-18-10-8-17(9-11-18)25(30-21-12-19(27)20(28)13-22(21)31-25)23(16-6-7-16)24(32)29-14-15-4-2-1-3-5-15/h1-5,8-13,16,23,30-31H,6-7,14H2,(H,29,32).
What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide?
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide has a molecular weight of 453.92 g/mol, XLogP of 5.65, 6 rotatable bonds, 3 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-difluoro-1,3-dihydrobenzimidazol-2-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 67182338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).