2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile

C17H19ClN4 — CID 84744481

IUPAC2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile
SMILESCn1c(-c2ccccc2)nc(C(C#N)N2CCCCC2)c1Cl
InChIInChI=1S/C17H19ClN4/c1-21-16(18)15(14(12-19)22-10-6-3-7-11-22)20-17(21)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3
InChIKeyXMWKTIWKIBRDGB-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.79
Rot. Bonds3

About 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile

2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile (PubChem CID 84744481) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile
PubChem CID84744481
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile
SMILESCn1c(-c2ccccc2)nc(C(C#N)N2CCCCC2)c1Cl
InChIInChI=1S/C17H19ClN4/c1-21-16(18)15(14(12-19)22-10-6-3-7-11-22)20-17(21)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3
InChIKeyXMWKTIWKIBRDGB-UHFFFAOYSA-N
XLogP3.79
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile (CID 84744481) is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile is Cn1c(-c2ccccc2)nc(C(C#N)N2CCCCC2)c1Cl.
What is the InChIKey of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile?
The InChIKey is XMWKTIWKIBRDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-21-16(18)15(14(12-19)22-10-6-3-7-11-22)20-17(21)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3.
What are the key properties of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile?
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile has a molecular weight of 314.82 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 84744481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).