3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate

C19H20Cl2N2O3 — CID 70551057

IUPAC3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate
SMILESCCOC(=O)CC.O=c1[nH]c2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O.C5H10O2/c15-10-6-5-9(7-11(10)16)8-18-13-4-2-1-3-12(13)17-14(18)19;1-3-5(6)7-4-2/h1-7H,8H2,(H,17,19);3-4H2,1-2H3
InChIKeyJRDSKECMOQXIHP-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.64
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate

3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate (PubChem CID 70551057) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate
PubChem CID70551057
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate
SMILESCCOC(=O)CC.O=c1[nH]c2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O.C5H10O2/c15-10-6-5-9(7-11(10)16)8-18-13-4-2-1-3-12(13)17-14(18)19;1-3-5(6)7-4-2/h1-7H,8H2,(H,17,19);3-4H2,1-2H3
InChIKeyJRDSKECMOQXIHP-UHFFFAOYSA-N
XLogP4.64
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
CID 166828607
ethyl 3-benzylsulfonyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate
CID 22603402
ethyl 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate
CID 22311024
3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one
CID 166828679
N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide
CID 166828677
1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonylindole-4-diazonium
CID 18522124
ethyl (2S)-2-benzyl-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrole-4-carboxylate
CID 54680389
3-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-one
CID 57250326
N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide
CID 163926569
O-ethyl 3-benzyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carbothioate
CID 86759581

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate (CID 70551057) is 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate is CCOC(=O)CC.O=c1[nH]c2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate?
The InChIKey is JRDSKECMOQXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O.C5H10O2/c15-10-6-5-9(7-11(10)16)8-18-13-4-2-1-3-12(13)17-14(18)19;1-3-5(6)7-4-2/h1-7H,8H2,(H,17,19);3-4H2,1-2H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate?
3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate has a molecular weight of 395.29 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate is sourced from PubChem (CID 70551057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).