1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide

C26H33BrN4O — CID 124824843

IUPAC1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C26H33BrN4O/c1-3-5-16-30(4-2)26(32)20-14-17-29(18-15-20)19-25-28-23-8-6-7-9-24(23)31(25)22-12-10-21(27)11-13-22/h6-13,20H,3-5,14-19H2,1-2H3
InChIKeyMHPLRIDUJIZOEY-UHFFFAOYSA-N
MW497.48 g/mol
LogP5.65
Rot. Bonds8

About 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide

1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide (PubChem CID 124824843) has the molecular formula C26H33BrN4O and a molecular weight of 497.48 g/mol. Its IUPAC name is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide
PubChem CID124824843
Molecular FormulaC26H33BrN4O
Molecular Weight497.48 g/mol
Exact Mass496.18
IUPAC Name1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C26H33BrN4O/c1-3-5-16-30(4-2)26(32)20-14-17-29(18-15-20)19-25-28-23-8-6-7-9-24(23)31(25)22-12-10-21(27)11-13-22/h6-13,20H,3-5,14-19H2,1-2H3
InChIKeyMHPLRIDUJIZOEY-UHFFFAOYSA-N
XLogP5.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-3-carboxamide
CID 124823906
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
CID 124825837
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
CID 124823860
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124809772
(3R)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-3-carboxamide
CID 124825872
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 124805858
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
(3R)-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124824164
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 124805655
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide (CID 124824843) is 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide is CCCCN(CC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is MHPLRIDUJIZOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33BrN4O/c1-3-5-16-30(4-2)26(32)20-14-17-29(18-15-20)19-25-28-23-8-6-7-9-24(23)31(25)22-12-10-21(27)11-13-22/h6-13,20H,3-5,14-19H2,1-2H3.
What are the key properties of 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide?
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 124824843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).