3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline

C16H15BrN4 — CID 129403575

IUPAC3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline
SMILESCc1cc(Br)cc(N[C@H](c2cccnc2)c2ncc[nH]2)c1
InChIInChI=1S/C16H15BrN4/c1-11-7-13(17)9-14(8-11)21-15(16-19-5-6-20-16)12-3-2-4-18-10-12/h2-10,15,21H,1H3,(H,19,20)/t15-/m1/s1
InChIKeyWDVJDCSZFCJHOW-OAHLLOKOSA-N
MW343.23 g/mol
LogP4.08
Rot. Bonds4

About 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline

3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline (PubChem CID 129403575) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline
PubChem CID129403575
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline
SMILESCc1cc(Br)cc(N[C@H](c2cccnc2)c2ncc[nH]2)c1
InChIInChI=1S/C16H15BrN4/c1-11-7-13(17)9-14(8-11)21-15(16-19-5-6-20-16)12-3-2-4-18-10-12/h2-10,15,21H,1H3,(H,19,20)/t15-/m1/s1
InChIKeyWDVJDCSZFCJHOW-OAHLLOKOSA-N
XLogP4.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide
CID 99843151
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 107234131
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
2-[2-[[(S)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]ethyl]-3,4-dihydroisoquinolin-1-one
CID 99843229
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
[1-(3-bromo-5-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333652
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline (CID 129403575) is 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline is Cc1cc(Br)cc(N[C@H](c2cccnc2)c2ncc[nH]2)c1.
What is the InChIKey of 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline?
The InChIKey is WDVJDCSZFCJHOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-11-7-13(17)9-14(8-11)21-15(16-19-5-6-20-16)12-3-2-4-18-10-12/h2-10,15,21H,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline?
3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline has a molecular weight of 343.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline is sourced from PubChem (CID 129403575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).