(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol

C23H21BrN2O2 — CID 40871585

IUPAC(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)Cc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O2/c1-28-19-12-8-17(9-13-19)22(27)14-23-25-20-4-2-3-5-21(20)26(23)15-16-6-10-18(24)11-7-16/h2-13,22,27H,14-15H2,1H3/t22-/m1/s1
InChIKeyJMERSEKGZYRQDV-JOCHJYFZSA-N
MW437.34 g/mol
LogP5.13
Rot. Bonds6

About (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol

(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 40871585) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID40871585
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)Cc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O2/c1-28-19-12-8-17(9-13-19)22(27)14-23-25-20-4-2-3-5-21(20)26(23)15-16-6-10-18(24)11-7-16/h2-13,22,27H,14-15H2,1H3/t22-/m1/s1
InChIKeyJMERSEKGZYRQDV-JOCHJYFZSA-N
XLogP5.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol
CID 2858915
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-(4-methoxyphenyl)methanol
CID 2850295
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol (CID 40871585) is (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc([C@H](O)Cc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1.
What is the InChIKey of (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is JMERSEKGZYRQDV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-28-19-12-8-17(9-13-19)22(27)14-23-25-20-4-2-3-5-21(20)26(23)15-16-6-10-18(24)11-7-16/h2-13,22,27H,14-15H2,1H3/t22-/m1/s1.
What are the key properties of (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol?
(1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 437.34 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 40871585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).