2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile

C10H13ClN4 — CID 84740448

IUPAC2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile
SMILESCc1nc(Cl)c(C(C#N)N2CCCC2)[nH]1
InChIInChI=1S/C10H13ClN4/c1-7-13-9(10(11)14-7)8(6-12)15-4-2-3-5-15/h8H,2-5H2,1H3,(H,13,14)
InChIKeyWVLKMXQDBBHSLX-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.03
Rot. Bonds2

About 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile

2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile (PubChem CID 84740448) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile
PubChem CID84740448
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile
SMILESCc1nc(Cl)c(C(C#N)N2CCCC2)[nH]1
InChIInChI=1S/C10H13ClN4/c1-7-13-9(10(11)14-7)8(6-12)15-4-2-3-5-15/h8H,2-5H2,1H3,(H,13,14)
InChIKeyWVLKMXQDBBHSLX-UHFFFAOYSA-N
XLogP2.03
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 84742153
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84741318
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84743603
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile
CID 84744481
2-piperidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile
CID 84740974
2-(azepan-1-yl)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79583925
2-(azepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104823105
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile;hydrochloride
CID 91664109
2-(4-hydroxy-3,5-dimethylphenyl)-2-piperidin-1-ylacetonitrile
CID 43802879
2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 84756565
2-(azepan-1-yl)-2-(3-methylimidazol-4-yl)acetonitrile
CID 66119034
2-(5-chloro-1,2-dimethylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)acetonitrile
CID 84744706

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile (CID 84740448) is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile.
What is the SMILES notation for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The canonical SMILES for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile is Cc1nc(Cl)c(C(C#N)N2CCCC2)[nH]1.
What is the InChIKey of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The InChIKey is WVLKMXQDBBHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-7-13-9(10(11)14-7)8(6-12)15-4-2-3-5-15/h8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile has a molecular weight of 224.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-pyrrolidin-1-ylacetonitrile is sourced from PubChem (CID 84740448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).