2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone

C18H16Cl3N3O2 — CID 58986058

IUPAC2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCOC
InChIInChI=1S/C18H16Cl3N3O2/c1-26-8-7-23-17-13(20)3-2-4-15(17)24(18(23)22)10-16(25)12-6-5-11(19)9-14(12)21/h2-6,9,22H,7-8,10H2,1H3/b22-18-
InChIKeyZEZWFEYMFJJKRJ-PYCFMQQDSA-N
MW412.70 g/mol
LogP4.41
Rot. Bonds6

About 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone

2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone (PubChem CID 58986058) has the molecular formula C18H16Cl3N3O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
PubChem CID58986058
Molecular FormulaC18H16Cl3N3O2
Molecular Weight412.70 g/mol
Exact Mass411.03
IUPAC Name2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCOC
InChIInChI=1S/C18H16Cl3N3O2/c1-26-8-7-23-17-13(20)3-2-4-15(17)24(18(23)22)10-16(25)12-6-5-11(19)9-14(12)21/h2-6,9,22H,7-8,10H2,1H3/b22-18-
InChIKeyZEZWFEYMFJJKRJ-PYCFMQQDSA-N
XLogP4.41
TPSA60.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone (CID 58986058) is 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone is [H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCOC.
What is the InChIKey of 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is ZEZWFEYMFJJKRJ-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H16Cl3N3O2/c1-26-8-7-23-17-13(20)3-2-4-15(17)24(18(23)22)10-16(25)12-6-5-11(19)9-14(12)21/h2-6,9,22H,7-8,10H2,1H3/b22-18-.
What are the key properties of 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 412.70 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 58986058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).