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

C18H17Cl2N3O2 — CID 58985905

IUPAC2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c2n1CCOC
InChIInChI=1S/C18H17Cl2N3O2/c1-25-10-9-22-17-14(20)3-2-4-15(17)23(18(22)21)11-16(24)12-5-7-13(19)8-6-12/h2-8,21H,9-11H2,1H3/b21-18-
InChIKeyBOIWVNLEJDTMQF-UZYVYHOESA-N
MW378.26 g/mol
LogP3.76
Rot. Bonds6

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

2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone (PubChem CID 58985905) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone
PubChem CID58985905
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c2n1CCOC
InChIInChI=1S/C18H17Cl2N3O2/c1-25-10-9-22-17-14(20)3-2-4-15(17)23(18(22)21)11-16(24)12-5-7-13(19)8-6-12/h2-8,21H,9-11H2,1H3/b21-18-
InChIKeyBOIWVNLEJDTMQF-UZYVYHOESA-N
XLogP3.76
TPSA60.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.76
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-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone (CID 58985905) is 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone is [H]/N=c1\n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c2n1CCOC.
What is the InChIKey of 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone?
The InChIKey is BOIWVNLEJDTMQF-UZYVYHOESA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-25-10-9-22-17-14(20)3-2-4-15(17)23(18(22)21)11-16(24)12-5-7-13(19)8-6-12/h2-8,21H,9-11H2,1H3/b21-18-.
What are the key properties of 2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone?
2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone has a molecular weight of 378.26 g/mol, XLogP of 3.76, 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-(4-chlorophenyl)ethanone is sourced from PubChem (CID 58985905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).