2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole

C27H21BrN2 — CID 16987217

IUPAC2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
SMILESBrc1cccc(Cn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C27H21BrN2/c28-23-15-9-10-20(18-23)19-30-25-17-8-7-16-24(25)29-27(30)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,26H,19H2
InChIKeyBDFJQWVNCNIQLE-UHFFFAOYSA-N
MW453.38 g/mol
LogP7.03
Rot. Bonds5

About 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole

2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole (PubChem CID 16987217) has the molecular formula C27H21BrN2 and a molecular weight of 453.38 g/mol. Its IUPAC name is 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
PubChem CID16987217
Molecular FormulaC27H21BrN2
Molecular Weight453.38 g/mol
Exact Mass452.09
IUPAC Name2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
SMILESBrc1cccc(Cn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C27H21BrN2/c28-23-15-9-10-20(18-23)19-30-25-17-8-7-16-24(25)29-27(30)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,26H,19H2
InChIKeyBDFJQWVNCNIQLE-UHFFFAOYSA-N
XLogP7.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
1-[(3-bromophenyl)methyl]-2-tert-butylbenzimidazole
CID 17000378
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65345047
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970620
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole?
The IUPAC name of 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole (CID 16987217) is 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole?
The canonical SMILES for 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole is Brc1cccc(Cn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole?
The InChIKey is BDFJQWVNCNIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2/c28-23-15-9-10-20(18-23)19-30-25-17-8-7-16-24(25)29-27(30)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,26H,19H2.
What are the key properties of 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole?
2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole has a molecular weight of 453.38 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole is sourced from PubChem (CID 16987217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).