[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone

C24H27ClN4O — CID 134263527

IUPAC[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESCC(C)Cc1cc(-c2ncc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)[nH]2)ccn1
InChIInChI=1S/C24H27ClN4O/c1-16(2)12-19-13-17(8-9-26-19)23-27-15-22(28-23)20-7-6-18(14-21(20)25)24(30)29-10-4-3-5-11-29/h6-9,13-16H,3-5,10-12H2,1-2H3,(H,27,28)
InChIKeySVQMNIXHOPSUDA-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.62
Rot. Bonds5

About [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone

[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 134263527) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID134263527
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESCC(C)Cc1cc(-c2ncc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)[nH]2)ccn1
InChIInChI=1S/C24H27ClN4O/c1-16(2)12-19-13-17(8-9-26-19)23-27-15-22(28-23)20-7-6-18(14-21(20)25)24(30)29-10-4-3-5-11-29/h6-9,13-16H,3-5,10-12H2,1-2H3,(H,27,28)
InChIKeySVQMNIXHOPSUDA-UHFFFAOYSA-N
XLogP5.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone (CID 134263527) is [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone is CC(C)Cc1cc(-c2ncc(-c3ccc(C(=O)N4CCCCC4)cc3Cl)[nH]2)ccn1.
What is the InChIKey of [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is SVQMNIXHOPSUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-16(2)12-19-13-17(8-9-26-19)23-27-15-22(28-23)20-7-6-18(14-21(20)25)24(30)29-10-4-3-5-11-29/h6-9,13-16H,3-5,10-12H2,1-2H3,(H,27,28).
What are the key properties of [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone?
[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 422.96 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1H-imidazol-5-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134263527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).