3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide

C24H25ClN4O — CID 118292188

IUPAC3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide
SMILESO=C(c1ccc(-n2cnc(-c3ccccc3)c2)c(Cl)c1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C24H25ClN4O/c25-21-14-18(24(30)29(19-7-8-19)20-10-12-26-13-11-20)6-9-23(21)28-15-22(27-16-28)17-4-2-1-3-5-17/h1-6,9,14-16,19-20,26H,7-8,10-13H2
InChIKeyZLZMANDOIWCYSC-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.55
Rot. Bonds5

About 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide

3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide (PubChem CID 118292188) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide
PubChem CID118292188
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide
SMILESO=C(c1ccc(-n2cnc(-c3ccccc3)c2)c(Cl)c1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C24H25ClN4O/c25-21-14-18(24(30)29(19-7-8-19)20-10-12-26-13-11-20)6-9-23(21)28-15-22(27-16-28)17-4-2-1-3-5-17/h1-6,9,14-16,19-20,26H,7-8,10-13H2
InChIKeyZLZMANDOIWCYSC-UHFFFAOYSA-N
XLogP4.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide (CID 118292188) is 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide is O=C(c1ccc(-n2cnc(-c3ccccc3)c2)c(Cl)c1)N(C1CCNCC1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide?
The InChIKey is ZLZMANDOIWCYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c25-21-14-18(24(30)29(19-7-8-19)20-10-12-26-13-11-20)6-9-23(21)28-15-22(27-16-28)17-4-2-1-3-5-17/h1-6,9,14-16,19-20,26H,7-8,10-13H2.
What are the key properties of 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide?
3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide has a molecular weight of 420.94 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 118292188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).