2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole

C23H17BrClN3O — CID 11754301

IUPAC2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole
SMILESCc1cc2cc(OCc3nc4ccccc4[nH]3)c(Br)cc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17BrClN3O/c1-14-10-15-11-22(29-13-23-26-19-4-2-3-5-20(19)27-23)18(24)12-21(15)28(14)17-8-6-16(25)7-9-17/h2-12H,13H2,1H3,(H,26,27)
InChIKeyQPOOEEYWMCCKRQ-UHFFFAOYSA-N
MW466.77 g/mol
LogP6.81
Rot. Bonds4

About 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole

2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole (PubChem CID 11754301) has the molecular formula C23H17BrClN3O and a molecular weight of 466.77 g/mol. Its IUPAC name is 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole
PubChem CID11754301
Molecular FormulaC23H17BrClN3O
Molecular Weight466.77 g/mol
Exact Mass465.02
IUPAC Name2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole
SMILESCc1cc2cc(OCc3nc4ccccc4[nH]3)c(Br)cc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17BrClN3O/c1-14-10-15-11-22(29-13-23-26-19-4-2-3-5-20(19)27-23)18(24)12-21(15)28(14)17-8-6-16(25)7-9-17/h2-12H,13H2,1H3,(H,26,27)
InChIKeyQPOOEEYWMCCKRQ-UHFFFAOYSA-N
XLogP6.81
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.77
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083
2-[[4-(4-chlorophenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 5039277
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 3991552
2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
CID 143712602
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 1342803
2-[[1-(4-chlorophenyl)-5-(2-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1H-benzimidazole
CID 11282274
2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole
CID 139950745
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 66526676
4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-bromophenyl)methoxy]benzoic acid
CID 59874737
N-(1H-benzimidazol-2-ylmethyl)-1-[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 66538295
N-(1H-benzimidazol-2-ylmethyl)-1-[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66538511
N-(1H-benzimidazol-2-ylmethyl)-1-[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66538754

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole?
The IUPAC name of 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole (CID 11754301) is 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole?
The canonical SMILES for 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole is Cc1cc2cc(OCc3nc4ccccc4[nH]3)c(Br)cc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole?
The InChIKey is QPOOEEYWMCCKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClN3O/c1-14-10-15-11-22(29-13-23-26-19-4-2-3-5-20(19)27-23)18(24)12-21(15)28(14)17-8-6-16(25)7-9-17/h2-12H,13H2,1H3,(H,26,27).
What are the key properties of 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole?
2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole has a molecular weight of 466.77 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxymethyl]-1H-benzimidazole is sourced from PubChem (CID 11754301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).