N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

C26H29N3 — CID 166067984

IUPACN-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCCCCCN(C)c1ccc(Cc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C26H29N3/c1-3-4-9-18-28(2)23-16-14-21(15-17-23)20-24-26(22-11-6-5-7-12-22)27-25-13-8-10-19-29(24)25/h5-8,10-17,19H,3-4,9,18,20H2,1-2H3
InChIKeyBUHZNVDUTXNNLT-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.22
Rot. Bonds8

About N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (PubChem CID 166067984) has the molecular formula C26H29N3 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
PubChem CID166067984
Molecular FormulaC26H29N3
Molecular Weight383.54 g/mol
Exact Mass383.24
IUPAC NameN-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCCCCCN(C)c1ccc(Cc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C26H29N3/c1-3-4-9-18-28(2)23-16-14-21(15-17-23)20-24-26(22-11-6-5-7-12-22)27-25-13-8-10-19-29(24)25/h5-8,10-17,19H,3-4,9,18,20H2,1-2H3
InChIKeyBUHZNVDUTXNNLT-UHFFFAOYSA-N
XLogP6.22
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 5732
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CID 53262401
2-(4-Nitrophenyl)imidazo(1,2-a)pyridine
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ML323
CID 60167849
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
L-790070
CID 9806182
Fazadinium Bromide
CID 6321422
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The IUPAC name of N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (CID 166067984) is N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The canonical SMILES for N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is CCCCCN(C)c1ccc(Cc2c(-c3ccccc3)nc3ccccn23)cc1.
What is the InChIKey of N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The InChIKey is BUHZNVDUTXNNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3/c1-3-4-9-18-28(2)23-16-14-21(15-17-23)20-24-26(22-11-6-5-7-12-22)27-25-13-8-10-19-29(24)25/h5-8,10-17,19H,3-4,9,18,20H2,1-2H3.
What are the key properties of N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline has a molecular weight of 383.54 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 166067984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).