4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide

C22H26N4O — CID 156708196

IUPAC4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
SMILESCN1CCC(c2cccc3c2ncn3C(=O)NCCCc2ccccc2)C1
InChIInChI=1S/C22H26N4O/c1-25-14-12-18(15-25)19-10-5-11-20-21(19)24-16-26(20)22(27)23-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,16,18H,6,9,12-15H2,1H3,(H,23,27)
InChIKeyHJEGNSRFIAJZQX-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.65
Rot. Bonds5

About 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide

4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide (PubChem CID 156708196) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
PubChem CID156708196
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
SMILESCN1CCC(c2cccc3c2ncn3C(=O)NCCCc2ccccc2)C1
InChIInChI=1S/C22H26N4O/c1-25-14-12-18(15-25)19-10-5-11-20-21(19)24-16-26(20)22(27)23-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,16,18H,6,9,12-15H2,1H3,(H,23,27)
InChIKeyHJEGNSRFIAJZQX-UHFFFAOYSA-N
XLogP3.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one
CID 167658829
4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 156708073
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 166046436
2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
CID 175826583
4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708014
4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 167679804
5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162655749
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 175826560
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
The IUPAC name of 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide (CID 156708196) is 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide.
What is the SMILES notation for 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
The canonical SMILES for 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide is CN1CCC(c2cccc3c2ncn3C(=O)NCCCc2ccccc2)C1.
What is the InChIKey of 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
The InChIKey is HJEGNSRFIAJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25-14-12-18(15-25)19-10-5-11-20-21(19)24-16-26(20)22(27)23-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,16,18H,6,9,12-15H2,1H3,(H,23,27).
What are the key properties of 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide?
4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 156708196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).