N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine

C30H27N3 — CID 164889658

IUPACN-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(CNc2c(-c3cc4ccc3CCc3ccc(cc3)CC4)nc3ccccn23)cc1
InChIInChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2
InChIKeyZLJOSDAHLIZTQZ-UHFFFAOYSA-N
MW429.57 g/mol
LogP6.50
Rot. Bonds4

About N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine

N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 164889658) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID164889658
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC NameN-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(CNc2c(-c3cc4ccc3CCc3ccc(cc3)CC4)nc3ccccn23)cc1
InChIInChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2
InChIKeyZLJOSDAHLIZTQZ-UHFFFAOYSA-N
XLogP6.50
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

N-benzyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808655
N-benzyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 70676789
N-benzyl-2-[4-(3-chlorophenyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 42601069
N-benzyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 808661
2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 809543
N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 167754279
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzoate
CID 42743708
1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
CID 164835750
N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 59402651
[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-ethylbenzoate
CID 3349532
4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 858017
N-benzyl-8-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 808812

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine (CID 164889658) is N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine is c1ccc(CNc2c(-c3cc4ccc3CCc3ccc(cc3)CC4)nc3ccccn23)cc1.
What is the InChIKey of N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZLJOSDAHLIZTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2.
What are the key properties of N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine?
N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 429.57 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 164889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).