2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide

C25H32N4O2 — CID 175826583

IUPAC2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
SMILESCOc1nc2c(C3CCN(C)CC3)cccc2n1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C25H32N4O2/c1-28-17-14-20(15-18-28)21-12-8-13-22-23(21)27-25(31-2)29(22)24(30)26-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,20H,6-7,11,14-18H2,1-2H3,(H,26,30)
InChIKeyVEXDPXXVSJGHAR-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.43
Rot. Bonds7

About 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide

2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide (PubChem CID 175826583) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
PubChem CID175826583
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide
SMILESCOc1nc2c(C3CCN(C)CC3)cccc2n1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C25H32N4O2/c1-28-17-14-20(15-18-28)21-12-8-13-22-23(21)27-25(31-2)29(22)24(30)26-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,20H,6-7,11,14-18H2,1-2H3,(H,26,30)
InChIKeyVEXDPXXVSJGHAR-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.43
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

4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 156708196
1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one
CID 167658829
6-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 155546788
5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162655749
2-ethoxy-4-fluoro-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708117
N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide
CID 156708251
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 175826560
2-methoxy-5-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
CID 175756639
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
4-cyclopropyl-2-methoxy-N-(2-phenylethyl)imidazole-1-carboxamide
CID 156708302
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide?
The IUPAC name of 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide (CID 175826583) is 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide.
What is the SMILES notation for 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide?
The canonical SMILES for 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide is COc1nc2c(C3CCN(C)CC3)cccc2n1C(=O)NCCCCc1ccccc1.
What is the InChIKey of 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide?
The InChIKey is VEXDPXXVSJGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-28-17-14-20(15-18-28)21-12-8-13-22-23(21)27-25(31-2)29(22)24(30)26-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,20H,6-7,11,14-18H2,1-2H3,(H,26,30).
What are the key properties of 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide?
2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylpiperidin-4-yl)-N-(4-phenylbutyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 175826583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).