2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile

C18H15ClN4O — CID 90407299

IUPAC2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
SMILESCCOc1cc(Cl)ccc1-c1c(-c2cc(C#N)ccn2)ncn1C
InChIInChI=1S/C18H15ClN4O/c1-3-24-16-9-13(19)4-5-14(16)18-17(22-11-23(18)2)15-8-12(10-20)6-7-21-15/h4-9,11H,3H2,1-2H3
InChIKeyCXMCXDQMOCXLKI-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.07
Rot. Bonds4

About 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile

2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile (PubChem CID 90407299) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
PubChem CID90407299
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
SMILESCCOc1cc(Cl)ccc1-c1c(-c2cc(C#N)ccn2)ncn1C
InChIInChI=1S/C18H15ClN4O/c1-3-24-16-9-13(19)4-5-14(16)18-17(22-11-23(18)2)15-8-12(10-20)6-7-21-15/h4-9,11H,3H2,1-2H3
InChIKeyCXMCXDQMOCXLKI-UHFFFAOYSA-N
XLogP4.07
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-chlorophenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
CID 90406686
2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile
CID 90440547
2-[5-[2-(cyclopropylmethoxy)-4-ethenylphenyl]-1-methylimidazol-4-yl]-4-ethynylpyridine
CID 130453050
2-[5-(4-chloro-2-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407838
4-chloro-2-ethoxybenzonitrile
CID 22721189
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
CID 18707123
2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]-4-(5-iodo-1-methyltriazol-4-yl)pyridine
CID 145046249
4-[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-3-ethoxybenzonitrile
CID 91869338
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288277
4-chloro-2-(2-ethoxyphenyl)pyridine
CID 102825098
6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine
CID 145046241

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile (CID 90407299) is 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile is CCOc1cc(Cl)ccc1-c1c(-c2cc(C#N)ccn2)ncn1C.
What is the InChIKey of 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
The InChIKey is CXMCXDQMOCXLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-3-24-16-9-13(19)4-5-14(16)18-17(22-11-23(18)2)15-8-12(10-20)6-7-21-15/h4-9,11H,3H2,1-2H3.
What are the key properties of 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile?
2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile has a molecular weight of 338.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-2-ethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 90407299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).