2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide

C24H22ClN5O2 — CID 143922333

IUPAC2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)nc1)c1cccc2[nH]c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C24H22ClN5O2/c25-17-6-4-16(5-7-17)23-28-21-3-1-2-20(22(21)29-23)24(31)27-18-8-9-19(26-14-18)15-30-10-12-32-13-11-30/h1-9,14H,10-13,15H2,(H,27,31)(H,28,29)
InChIKeyKJPUHWRXWDMTMY-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.36
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide

2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 143922333) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID143922333
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)nc1)c1cccc2[nH]c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C24H22ClN5O2/c25-17-6-4-16(5-7-17)23-28-21-3-1-2-20(22(21)29-23)24(31)27-18-8-9-19(26-14-18)15-30-10-12-32-13-11-30/h1-9,14H,10-13,15H2,(H,27,31)(H,28,29)
InChIKeyKJPUHWRXWDMTMY-UHFFFAOYSA-N
XLogP4.36
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide 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 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 143922333) is 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1ccc(CN2CCOCC2)nc1)c1cccc2[nH]c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is KJPUHWRXWDMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-17-6-4-16(5-7-17)23-28-21-3-1-2-20(22(21)29-23)24(31)27-18-8-9-19(26-14-18)15-30-10-12-32-13-11-30/h1-9,14H,10-13,15H2,(H,27,31)(H,28,29).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 143922333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).