1-[(3-bromophenyl)methyl]-2-propylbenzimidazole

C17H17BrN2 — CID 115569313

IUPAC1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C17H17BrN2/c1-2-6-17-19-15-9-3-4-10-16(15)20(17)12-13-7-5-8-14(18)11-13/h3-5,7-11H,2,6,12H2,1H3
InChIKeyQBYMZAIWYRSAPK-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.80
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole

1-[(3-bromophenyl)methyl]-2-propylbenzimidazole (PubChem CID 115569313) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
PubChem CID115569313
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C17H17BrN2/c1-2-6-17-19-15-9-3-4-10-16(15)20(17)12-13-7-5-8-14(18)11-13/h3-5,7-11H,2,6,12H2,1H3
InChIKeyQBYMZAIWYRSAPK-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-propylbenzimidazole
CID 764560
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39148040
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[(3-bromophenyl)methyl]-2-tert-butylbenzimidazole
CID 17000378
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980234
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970620

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole (CID 115569313) is 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole?
The InChIKey is QBYMZAIWYRSAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-2-6-17-19-15-9-3-4-10-16(15)20(17)12-13-7-5-8-14(18)11-13/h3-5,7-11H,2,6,12H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole?
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole has a molecular weight of 329.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-propylbenzimidazole is sourced from PubChem (CID 115569313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).