N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide

C24H29N5O2 — CID 172671198

IUPACN-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1NC(=O)C1CCN(C)C1
InChIInChI=1S/C24H29N5O2/c1-16-9-10-17(14-21(16)28-24(31)18-11-13-29(2)15-18)23(30)25-12-5-8-22-26-19-6-3-4-7-20(19)27-22/h3-4,6-7,9-10,14,18H,5,8,11-13,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyQHOBMQJBJWWJJE-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.12
Rot. Bonds7

About N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide

N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 172671198) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide
PubChem CID172671198
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1NC(=O)C1CCN(C)C1
InChIInChI=1S/C24H29N5O2/c1-16-9-10-17(14-21(16)28-24(31)18-11-13-29(2)15-18)23(30)25-12-5-8-22-26-19-6-3-4-7-20(19)27-22/h3-4,6-7,9-10,14,18H,5,8,11-13,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyQHOBMQJBJWWJJE-UHFFFAOYSA-N
XLogP3.12
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide;formic acid
CID 172896355
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
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N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide
CID 172665416
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 75489517
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 154840886
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide (CID 172671198) is N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1NC(=O)C1CCN(C)C1.
What is the InChIKey of N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is QHOBMQJBJWWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-9-10-17(14-21(16)28-24(31)18-11-13-29(2)15-18)23(30)25-12-5-8-22-26-19-6-3-4-7-20(19)27-22/h3-4,6-7,9-10,14,18H,5,8,11-13,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31).
What are the key properties of N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide?
N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 172671198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).