(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide

C26H32ClN5O2 — CID 51862019

IUPAC(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H32ClN5O2/c1-3-30(4-2)16-17-32-23-10-6-5-9-22(23)28-26(32)29-24(33)20-8-7-15-31(18-20)25(34)19-11-13-21(27)14-12-19/h5-6,9-14,20H,3-4,7-8,15-18H2,1-2H3,(H,28,29,33)/t20-/m1/s1
InChIKeyDREPJCXUNDNXGA-HXUWFJFHSA-N
MW482.03 g/mol
LogP4.52
Rot. Bonds8

About (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide

(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide (PubChem CID 51862019) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide
PubChem CID51862019
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H32ClN5O2/c1-3-30(4-2)16-17-32-23-10-6-5-9-22(23)28-26(32)29-24(33)20-8-7-15-31(18-20)25(34)19-11-13-21(27)14-12-19/h5-6,9-14,20H,3-4,7-8,15-18H2,1-2H3,(H,28,29,33)/t20-/m1/s1
InChIKeyDREPJCXUNDNXGA-HXUWFJFHSA-N
XLogP4.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42030130
1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide
CID 55527967
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556521
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 40604553
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide (CID 51862019) is (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide is CCN(CC)CCn1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide?
The InChIKey is DREPJCXUNDNXGA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c1-3-30(4-2)16-17-32-23-10-6-5-9-22(23)28-26(32)29-24(33)20-8-7-15-31(18-20)25(34)19-11-13-21(27)14-12-19/h5-6,9-14,20H,3-4,7-8,15-18H2,1-2H3,(H,28,29,33)/t20-/m1/s1.
What are the key properties of (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide?
(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide has a molecular weight of 482.03 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 51862019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).