benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate

C27H29N3O2 — CID 142744379

IUPACbenzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate
SMILESCCCCCC(NC(=O)OCc1ccccc1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C27H29N3O2/c1-2-3-6-17-23(28-27(31)32-20-21-13-7-4-8-14-21)26-25(22-15-9-5-10-16-22)29-24-18-11-12-19-30(24)26/h4-5,7-16,18-19,23H,2-3,6,17,20H2,1H3,(H,28,31)
InChIKeySZMHNXDPCFEWLI-UHFFFAOYSA-N
MW427.55 g/mol
LogP6.55
Rot. Bonds9

About benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate

benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate (PubChem CID 142744379) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate
PubChem CID142744379
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Namebenzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate
SMILESCCCCCC(NC(=O)OCc1ccccc1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C27H29N3O2/c1-2-3-6-17-23(28-27(31)32-20-21-13-7-4-8-14-21)26-25(22-15-9-5-10-16-22)29-24-18-11-12-19-30(24)26/h4-5,7-16,18-19,23H,2-3,6,17,20H2,1H3,(H,28,31)
InChIKeySZMHNXDPCFEWLI-UHFFFAOYSA-N
XLogP6.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid
CID 20610983
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
chloromethyl (2S)-2-(phenylmethoxycarbonylamino)hexanoate
CID 171393372
benzyl N-[(E)-tridec-7-en-6-yl]carbamate
CID 102473068
5-butoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 71289865
benzyl N-[(2S,3S)-1,3-dihydroxytridecan-2-yl]carbamate
CID 140979955
undecyl 2-(phenylmethoxycarbonylamino)pentanoate
CID 91723840
benzyl N-[(4S)-5-oxoundecan-4-yl]carbamate
CID 10781916
2,2,2-trifluoroethyl (2S)-2-(phenylmethoxycarbonylamino)heptanoate
CID 102186503
5-hexadecan-5-yloxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 71336676
benzyl N-[(4S)-5-oxononan-4-yl]carbamate
CID 10732336

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate?
The IUPAC name of benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate (CID 142744379) is benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate?
The canonical SMILES for benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate is CCCCCC(NC(=O)OCc1ccccc1)c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate?
The InChIKey is SZMHNXDPCFEWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-2-3-6-17-23(28-27(31)32-20-21-13-7-4-8-14-21)26-25(22-15-9-5-10-16-22)29-24-18-11-12-19-30(24)26/h4-5,7-16,18-19,23H,2-3,6,17,20H2,1H3,(H,28,31).
What are the key properties of benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate?
benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate has a molecular weight of 427.55 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate is sourced from PubChem (CID 142744379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).