N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine

C25H26BrN3O — CID 10115748

IUPACN-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2CCC(C)NCc2ccccc2)cc1
InChIInChI=1S/C25H26BrN3O/c1-18(27-16-19-6-4-3-5-7-19)8-14-23-25(20-9-12-22(30-2)13-10-20)28-24-15-11-21(26)17-29(23)24/h3-7,9-13,15,17-18,27H,8,14,16H2,1-2H3
InChIKeyUJIIZYQSAWZIEP-UHFFFAOYSA-N
MW464.41 g/mol
LogP5.88
Rot. Bonds8

About N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine

N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine (PubChem CID 10115748) has the molecular formula C25H26BrN3O and a molecular weight of 464.41 g/mol. Its IUPAC name is N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
PubChem CID10115748
Molecular FormulaC25H26BrN3O
Molecular Weight464.41 g/mol
Exact Mass463.13
IUPAC NameN-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine
SMILESCOc1ccc(-c2nc3ccc(Br)cn3c2CCC(C)NCc2ccccc2)cc1
InChIInChI=1S/C25H26BrN3O/c1-18(27-16-19-6-4-3-5-7-19)8-14-23-25(20-9-12-22(30-2)13-10-20)28-24-15-11-21(26)17-29(23)24/h3-7,9-13,15,17-18,27H,8,14,16H2,1-2H3
InChIKeyUJIIZYQSAWZIEP-UHFFFAOYSA-N
XLogP5.88
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.41
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine with MolForge

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Related Compounds

3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53118637
6-bromo-2-(4-methoxyphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2757048
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
3-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882694
6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338761
N-benzyl-3-(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 91634258
2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170879863
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 11792775
3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878846
N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 67841656

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine?
The IUPAC name of N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine (CID 10115748) is N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine.
What is the SMILES notation for N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine?
The canonical SMILES for N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine is COc1ccc(-c2nc3ccc(Br)cn3c2CCC(C)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine?
The InChIKey is UJIIZYQSAWZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O/c1-18(27-16-19-6-4-3-5-7-19)8-14-23-25(20-9-12-22(30-2)13-10-20)28-24-15-11-21(26)17-29(23)24/h3-7,9-13,15,17-18,27H,8,14,16H2,1-2H3.
What are the key properties of N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine?
N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine has a molecular weight of 464.41 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]butan-2-amine is sourced from PubChem (CID 10115748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).