1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone

C20H18ClN5O — CID 22380212

IUPAC1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone
SMILESCCn1c(Cn2ccnc2-c2cc(Cl)ccn2)nc2cc(C(C)=O)ccc21
InChIInChI=1S/C20H18ClN5O/c1-3-26-18-5-4-14(13(2)27)10-16(18)24-19(26)12-25-9-8-23-20(25)17-11-15(21)6-7-22-17/h4-11H,3,12H2,1-2H3
InChIKeyQNQMILUFNXEYMP-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.22
Rot. Bonds5

About 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone

1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone (PubChem CID 22380212) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone
PubChem CID22380212
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone
SMILESCCn1c(Cn2ccnc2-c2cc(Cl)ccn2)nc2cc(C(C)=O)ccc21
InChIInChI=1S/C20H18ClN5O/c1-3-26-18-5-4-14(13(2)27)10-16(18)24-19(26)12-25-9-8-23-20(25)17-11-15(21)6-7-22-17/h4-11H,3,12H2,1-2H3
InChIKeyQNQMILUFNXEYMP-UHFFFAOYSA-N
XLogP4.22
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone?
The IUPAC name of 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone (CID 22380212) is 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone is CCn1c(Cn2ccnc2-c2cc(Cl)ccn2)nc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone?
The InChIKey is QNQMILUFNXEYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-3-26-18-5-4-14(13(2)27)10-16(18)24-19(26)12-25-9-8-23-20(25)17-11-15(21)6-7-22-17/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone?
1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone has a molecular weight of 379.85 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]ethanone is sourced from PubChem (CID 22380212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).