4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide

C19H19ClN4O — CID 90045123

IUPAC4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c20-14-9-7-13(8-10-14)18(25)23-19-22-16-5-1-2-6-17(16)24(19)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-12H2,(H,22,23,25)
InChIKeyHFHBIBBYCJMZBX-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.87
Rot. Bonds3

About 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide

4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide (PubChem CID 90045123) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide
PubChem CID90045123
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2n1C1CCCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c20-14-9-7-13(8-10-14)18(25)23-19-22-16-5-1-2-6-17(16)24(19)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-12H2,(H,22,23,25)
InChIKeyHFHBIBBYCJMZBX-UHFFFAOYSA-N
XLogP3.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide (CID 90045123) is 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide is O=C(Nc1nc2ccccc2n1C1CCCNC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide?
The InChIKey is HFHBIBBYCJMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-14-9-7-13(8-10-14)18(25)23-19-22-16-5-1-2-6-17(16)24(19)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-12H2,(H,22,23,25).
What are the key properties of 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide?
4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide has a molecular weight of 354.84 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-piperidin-3-ylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 90045123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).