N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine

C37H35N3O — CID 19353943

IUPACN,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine
SMILESCc1cccc(-c2nc3ccc(OCCN(Cc4ccccc4)Cc4ccccc4)cc3n2Cc2ccccc2)c1
InChIInChI=1S/C37H35N3O/c1-29-12-11-19-33(24-29)37-38-35-21-20-34(25-36(35)40(37)28-32-17-9-4-10-18-32)41-23-22-39(26-30-13-5-2-6-14-30)27-31-15-7-3-8-16-31/h2-21,24-25H,22-23,26-28H2,1H3
InChIKeyUMLDCFBYANIGGA-UHFFFAOYSA-N
MW537.71 g/mol
LogP8.14
Rot. Bonds11

About N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine

N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine (PubChem CID 19353943) has the molecular formula C37H35N3O and a molecular weight of 537.71 g/mol. Its IUPAC name is N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine
PubChem CID19353943
Molecular FormulaC37H35N3O
Molecular Weight537.71 g/mol
Exact Mass537.28
IUPAC NameN,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine
SMILESCc1cccc(-c2nc3ccc(OCCN(Cc4ccccc4)Cc4ccccc4)cc3n2Cc2ccccc2)c1
InChIInChI=1S/C37H35N3O/c1-29-12-11-19-33(24-29)37-38-35-21-20-34(25-36(35)40(37)28-32-17-9-4-10-18-32)41-23-22-39(26-30-13-5-2-6-14-30)27-31-15-7-3-8-16-31/h2-21,24-25H,22-23,26-28H2,1H3
InChIKeyUMLDCFBYANIGGA-UHFFFAOYSA-N
XLogP8.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine
CID 19354031
2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine
CID 102328531
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
1-benzyl-6-(2-pyrrolidin-1-ylethoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353930
3-[3-[(2-bromophenyl)methyl]-2-(3,5-dimethylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 19353975
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
3-[3-butyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]oxy-N,N-diethylpropan-1-amine
CID 59699031
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
CID 11799561
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine?
The IUPAC name of N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine (CID 19353943) is N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine.
What is the SMILES notation for N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine?
The canonical SMILES for N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine is Cc1cccc(-c2nc3ccc(OCCN(Cc4ccccc4)Cc4ccccc4)cc3n2Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine?
The InChIKey is UMLDCFBYANIGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N3O/c1-29-12-11-19-33(24-29)37-38-35-21-20-34(25-36(35)40(37)28-32-17-9-4-10-18-32)41-23-22-39(26-30-13-5-2-6-14-30)27-31-15-7-3-8-16-31/h2-21,24-25H,22-23,26-28H2,1H3.
What are the key properties of N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine?
N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine has a molecular weight of 537.71 g/mol, XLogP of 8.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine is sourced from PubChem (CID 19353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).