3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine

C18H21BrN4 — CID 3197688

IUPAC3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine
SMILESCCCCc1nc2cc(N)c(C)nc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN4/c1-3-4-5-17-22-16-10-15(20)12(2)21-18(16)23(17)11-13-6-8-14(19)9-7-13/h6-10H,3-5,11,20H2,1-2H3
InChIKeyOHPVNVQDURUJRQ-UHFFFAOYSA-N
MW373.30 g/mol
LogP4.48
Rot. Bonds5

About 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine

3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine (PubChem CID 3197688) has the molecular formula C18H21BrN4 and a molecular weight of 373.30 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine
PubChem CID3197688
Molecular FormulaC18H21BrN4
Molecular Weight373.30 g/mol
Exact Mass372.09
IUPAC Name3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine
SMILESCCCCc1nc2cc(N)c(C)nc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN4/c1-3-4-5-17-22-16-10-15(20)12(2)21-18(16)23(17)11-13-6-8-14(19)9-7-13/h6-10H,3-5,11,20H2,1-2H3
InChIKeyOHPVNVQDURUJRQ-UHFFFAOYSA-N
XLogP4.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine (CID 3197688) is 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine is CCCCc1nc2cc(N)c(C)nc2n1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine?
The InChIKey is OHPVNVQDURUJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4/c1-3-4-5-17-22-16-10-15(20)12(2)21-18(16)23(17)11-13-6-8-14(19)9-7-13/h6-10H,3-5,11,20H2,1-2H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine?
3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine has a molecular weight of 373.30 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 3197688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).