2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine

C16H14BrN3 — CID 82561910

IUPAC2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
SMILESBrc1ccc(Cn2ccnc2Cc2ccccn2)cc1
InChIInChI=1S/C16H14BrN3/c17-14-6-4-13(5-7-14)12-20-10-9-19-16(20)11-15-3-1-2-8-18-15/h1-10H,11-12H2
InChIKeyNQSWMBSDRCIJLF-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.68
Rot. Bonds4

About 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine

2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine (PubChem CID 82561910) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
PubChem CID82561910
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
SMILESBrc1ccc(Cn2ccnc2Cc2ccccn2)cc1
InChIInChI=1S/C16H14BrN3/c17-14-6-4-13(5-7-14)12-20-10-9-19-16(20)11-15-3-1-2-8-18-15/h1-10H,11-12H2
InChIKeyNQSWMBSDRCIJLF-UHFFFAOYSA-N
XLogP3.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
CID 82561469
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid
CID 82560133
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
2-[(4-bromophenyl)methyl]-1-prop-2-enylimidazole
CID 82561825
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561954

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine?
The IUPAC name of 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine (CID 82561910) is 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine is Brc1ccc(Cn2ccnc2Cc2ccccn2)cc1.
What is the InChIKey of 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine?
The InChIKey is NQSWMBSDRCIJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-14-6-4-13(5-7-14)12-20-10-9-19-16(20)11-15-3-1-2-8-18-15/h1-10H,11-12H2.
What are the key properties of 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine?
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine has a molecular weight of 328.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine is sourced from PubChem (CID 82561910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).