2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide

C24H27N5O2 — CID 175826540

IUPAC2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
SMILESO=C1CN(c2nc3ccccc3n2C(=O)NCCCc2ccccc2)CCN1C1CC1
InChIInChI=1S/C24H27N5O2/c30-22-17-27(15-16-28(22)19-12-13-19)23-26-20-10-4-5-11-21(20)29(23)24(31)25-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,25,31)
InChIKeyFJLCPVNIAMOOQP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide

2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide (PubChem CID 175826540) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
PubChem CID175826540
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
SMILESO=C1CN(c2nc3ccccc3n2C(=O)NCCCc2ccccc2)CCN1C1CC1
InChIInChI=1S/C24H27N5O2/c30-22-17-27(15-16-28(22)19-12-13-19)23-26-20-10-4-5-11-21(20)29(23)24(31)25-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,25,31)
InChIKeyFJLCPVNIAMOOQP-UHFFFAOYSA-N
XLogP3.04
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 175826560
2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide
CID 175826573
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
3-methyl-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102781918
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53070178
2-[4-(1-methylazetidin-3-yl)piperazin-1-yl]-N-(3-phenylprop-2-ynyl)benzimidazole-1-carboxamide
CID 175826567
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
N-(3-phenylpropyl)-3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 134161266

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
The IUPAC name of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide (CID 175826540) is 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide.
What is the SMILES notation for 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
The canonical SMILES for 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide is O=C1CN(c2nc3ccccc3n2C(=O)NCCCc2ccccc2)CCN1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
The InChIKey is FJLCPVNIAMOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-22-17-27(15-16-28(22)19-12-13-19)23-26-20-10-4-5-11-21(20)29(23)24(31)25-14-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,25,31).
What are the key properties of 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-oxopiperazin-1-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 175826540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).