1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide

C28H37BrN4O — CID 124825837

IUPAC1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1
InChIInChI=1S/C28H37BrN4O/c1-3-5-16-32(17-6-4-2)28(34)22-14-18-31(19-15-22)21-27-30-25-12-7-8-13-26(25)33(27)24-11-9-10-23(29)20-24/h7-13,20,22H,3-6,14-19,21H2,1-2H3
InChIKeyYYCNHTPSXOSXIW-UHFFFAOYSA-N
MW525.54 g/mol
LogP6.43
Rot. Bonds10

About 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide

1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide (PubChem CID 124825837) has the molecular formula C28H37BrN4O and a molecular weight of 525.54 g/mol. Its IUPAC name is 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
PubChem CID124825837
Molecular FormulaC28H37BrN4O
Molecular Weight525.54 g/mol
Exact Mass524.22
IUPAC Name1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1
InChIInChI=1S/C28H37BrN4O/c1-3-5-16-32(17-6-4-2)28(34)22-14-18-31(19-15-22)21-27-30-25-12-7-8-13-26(25)33(27)24-11-9-10-23(29)20-24/h7-13,20,22H,3-6,14-19,21H2,1-2H3
InChIKeyYYCNHTPSXOSXIW-UHFFFAOYSA-N
XLogP6.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.54
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-butyl-N-ethylpiperidine-4-carboxamide
CID 124824843
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
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-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124781900
(4-benzoylpiperazin-1-yl)-[1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124787780
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 124794466
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
CID 124823860
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 124823623

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide (CID 124825837) is 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide is CCCCN(CCCC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide?
The InChIKey is YYCNHTPSXOSXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37BrN4O/c1-3-5-16-32(17-6-4-2)28(34)22-14-18-31(19-15-22)21-27-30-25-12-7-8-13-26(25)33(27)24-11-9-10-23(29)20-24/h7-13,20,22H,3-6,14-19,21H2,1-2H3.
What are the key properties of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide?
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide has a molecular weight of 525.54 g/mol, XLogP of 6.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide is sourced from PubChem (CID 124825837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).