N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide

C22H24ClN5O2 — CID 112815362

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClN5O2/c23-17-9-7-16(8-10-17)21(29)27-12-14-28(15-13-27)22(30)24-11-3-6-20-25-18-4-1-2-5-19(18)26-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,24,30)(H,25,26)
InChIKeyZVMOHVUSHPEGLF-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide (PubChem CID 112815362) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
PubChem CID112815362
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24ClN5O2/c23-17-9-7-16(8-10-17)21(29)27-12-14-28(15-13-27)22(30)24-11-3-6-20-25-18-4-1-2-5-19(18)26-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,24,30)(H,25,26)
InChIKeyZVMOHVUSHPEGLF-UHFFFAOYSA-N
XLogP3.32
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
CID 24612804
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazine-1-carboxamide
CID 136534323
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699
N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55461044
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 118768183
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
CID 27449168
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide (CID 112815362) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide?
The InChIKey is ZVMOHVUSHPEGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-17-9-7-16(8-10-17)21(29)27-12-14-28(15-13-27)22(30)24-11-3-6-20-25-18-4-1-2-5-19(18)26-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,24,30)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 112815362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).