2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile

C15H17ClN4 — CID 84743724

IUPAC2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile
SMILESCCN(CC)C(C#N)c1[nH]c(-c2ccccc2)nc1Cl
InChIInChI=1S/C15H17ClN4/c1-3-20(4-2)12(10-17)13-14(16)19-15(18-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3,(H,18,19)
InChIKeySEGFLRATOLCQPL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile

2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile (PubChem CID 84743724) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile
PubChem CID84743724
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile
SMILESCCN(CC)C(C#N)c1[nH]c(-c2ccccc2)nc1Cl
InChIInChI=1S/C15H17ClN4/c1-3-20(4-2)12(10-17)13-14(16)19-15(18-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3,(H,18,19)
InChIKeySEGFLRATOLCQPL-UHFFFAOYSA-N
XLogP3.64
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile
CID 84743522
2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile
CID 84739660
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 84744185
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)propanenitrile
CID 57149183
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid
CID 70579057
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745698
2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
CID 84745652
2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 11264160
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
4-chloro-5-methyl-2-phenyl-3H-cyclopenta[d]pyrimidine
CID 91323157

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile?
The IUPAC name of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile (CID 84743724) is 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile.
What is the SMILES notation for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile?
The canonical SMILES for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile is CCN(CC)C(C#N)c1[nH]c(-c2ccccc2)nc1Cl.
What is the InChIKey of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile?
The InChIKey is SEGFLRATOLCQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-3-20(4-2)12(10-17)13-14(16)19-15(18-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile?
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile has a molecular weight of 288.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile is sourced from PubChem (CID 84743724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).