3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole

C14H13BrN2 — CID 174630885

IUPAC3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole
SMILESBrc1cccc(CN2CNc3ccccc32)c1
InChIInChI=1S/C14H13BrN2/c15-12-5-3-4-11(8-12)9-17-10-16-13-6-1-2-7-14(13)17/h1-8,16H,9-10H2
InChIKeyMMDPSQLPCWGKDT-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.84
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole

3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole (PubChem CID 174630885) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole
PubChem CID174630885
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole
SMILESBrc1cccc(CN2CNc3ccccc32)c1
InChIInChI=1S/C14H13BrN2/c15-12-5-3-4-11(8-12)9-17-10-16-13-6-1-2-7-14(13)17/h1-8,16H,9-10H2
InChIKeyMMDPSQLPCWGKDT-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole?
The IUPAC name of 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole (CID 174630885) is 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole is Brc1cccc(CN2CNc3ccccc32)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole?
The InChIKey is MMDPSQLPCWGKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2/c15-12-5-3-4-11(8-12)9-17-10-16-13-6-1-2-7-14(13)17/h1-8,16H,9-10H2.
What are the key properties of 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole?
3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole has a molecular weight of 289.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 174630885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).