[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone

C30H26BrN3O — CID 164941908

IUPAC[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3cccc4ccccc34)n(Cc3ccc(Br)cc3)c2c1)N1CCCCC1
InChIInChI=1S/C30H26BrN3O/c31-24-14-11-21(12-15-24)20-34-28-19-23(30(35)33-17-4-1-5-18-33)13-16-27(28)32-29(34)26-10-6-8-22-7-2-3-9-25(22)26/h2-3,6-16,19H,1,4-5,17-18,20H2
InChIKeyRILOCCRCYPUHRD-UHFFFAOYSA-N
MW524.46 g/mol
LogP7.29
Rot. Bonds4

About [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone

[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 164941908) has the molecular formula C30H26BrN3O and a molecular weight of 524.46 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID164941908
Molecular FormulaC30H26BrN3O
Molecular Weight524.46 g/mol
Exact Mass523.13
IUPAC Name[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3cccc4ccccc34)n(Cc3ccc(Br)cc3)c2c1)N1CCCCC1
InChIInChI=1S/C30H26BrN3O/c31-24-14-11-21(12-15-24)20-34-28-19-23(30(35)33-17-4-1-5-18-33)13-16-27(28)32-29(34)26-10-6-8-22-7-2-3-9-25(22)26/h2-3,6-16,19H,1,4-5,17-18,20H2
InChIKeyRILOCCRCYPUHRD-UHFFFAOYSA-N
XLogP7.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.46
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-fluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598874
[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598924
[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598851
1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole
CID 155599091
(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
CID 155598879
2-(dimethylamino)ethyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]methyl]benzoate
CID 20659870
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 110899899
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 18315440
1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
methyl 1-[(3,4-difluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 155599061
[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone
CID 129319399

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone (CID 164941908) is [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone is O=C(c1ccc2nc(-c3cccc4ccccc34)n(Cc3ccc(Br)cc3)c2c1)N1CCCCC1.
What is the InChIKey of [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is RILOCCRCYPUHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BrN3O/c31-24-14-11-21(12-15-24)20-34-28-19-23(30(35)33-17-4-1-5-18-33)13-16-27(28)32-29(34)26-10-6-8-22-7-2-3-9-25(22)26/h2-3,6-16,19H,1,4-5,17-18,20H2.
What are the key properties of [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 524.46 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 164941908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).