methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate

C25H23ClN2O3 — CID 172632792

IUPACmethyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate
SMILESCCCc1ccc(-n2c(=O)n(Cc3cccc(C(=O)OC)c3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C25H23ClN2O3/c1-3-5-17-8-11-21(12-9-17)28-23-15-20(26)10-13-22(23)27(25(28)30)16-18-6-4-7-19(14-18)24(29)31-2/h4,6-15H,3,5,16H2,1-2H3
InChIKeyCDVDHNBHRFCJLB-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.23
Rot. Bonds6

About methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate

methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate (PubChem CID 172632792) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate
PubChem CID172632792
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Namemethyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate
SMILESCCCc1ccc(-n2c(=O)n(Cc3cccc(C(=O)OC)c3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C25H23ClN2O3/c1-3-5-17-8-11-21(12-9-17)28-23-15-20(26)10-13-22(23)27(25(28)30)16-18-6-4-7-19(14-18)24(29)31-2/h4,6-15H,3,5,16H2,1-2H3
InChIKeyCDVDHNBHRFCJLB-UHFFFAOYSA-N
XLogP5.23
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 3-[[5-chloro-2-oxo-3-(4-phenylphenyl)benzimidazol-1-yl]methyl]benzoate
CID 172633091
methyl 3-[[5-chloro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]benzoate
CID 172632917
methyl 3-[[5-chloro-3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]-2-oxobenzimidazol-1-yl]methyl]benzoate
CID 172632897
methyl 3-[[5-chloro-2-oxo-3-(1-propan-2-ylpyrazol-4-yl)benzimidazol-1-yl]methyl]benzoate
CID 172632998
3-[[5-chloro-2-oxo-3-(4-propan-2-yloxyphenyl)benzimidazol-1-yl]methyl]benzoic acid
CID 172633038
methyl 3-propylbenzoate
CID 12861009
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
5-[(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)methyl]-2-fluorobenzoic acid
CID 172632809
methyl 3-[[3-(naphthalen-1-ylmethyl)-2-oxobenzimidazol-1-yl]methyl]benzoate
CID 59497289
methyl 3-[[5-chloro-2-oxo-3-(4-piperazin-1-ylphenyl)benzimidazol-1-yl]methyl]-2-fluorobenzoate
CID 172632946
3-[[5-chloro-3-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-oxobenzimidazol-1-yl]methyl]benzoic acid
CID 172633007
methyl 3-[2-[5-chloro-3-[4-(3-hydroxyazetidin-1-yl)phenyl]-2-oxobenzimidazol-1-yl]propan-2-yl]benzoate
CID 172632942

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate (CID 172632792) is methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate is CCCc1ccc(-n2c(=O)n(Cc3cccc(C(=O)OC)c3)c3ccc(Cl)cc32)cc1.
What is the InChIKey of methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate?
The InChIKey is CDVDHNBHRFCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-3-5-17-8-11-21(12-9-17)28-23-15-20(26)10-13-22(23)27(25(28)30)16-18-6-4-7-19(14-18)24(29)31-2/h4,6-15H,3,5,16H2,1-2H3.
What are the key properties of methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate?
methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate has a molecular weight of 434.92 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-chloro-2-oxo-3-(4-propylphenyl)benzimidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 172632792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).