1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine

C23H26N4S — CID 162676520

IUPAC1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine
SMILESCCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)nccc21
InChIInChI=1S/C23H26N4S/c1-2-3-7-16-27-20-13-15-25-22(24-14-12-19-11-8-17-28-19)21(20)26-23(27)18-9-5-4-6-10-18/h4-6,8-11,13,15,17H,2-3,7,12,14,16H2,1H3,(H,24,25)
InChIKeyDQCDTRQALDPRRV-UHFFFAOYSA-N
MW390.56 g/mol
LogP6.00
Rot. Bonds9

About 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine

1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 162676520) has the molecular formula C23H26N4S and a molecular weight of 390.56 g/mol. Its IUPAC name is 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID162676520
Molecular FormulaC23H26N4S
Molecular Weight390.56 g/mol
Exact Mass390.19
IUPAC Name1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine
SMILESCCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)nccc21
InChIInChI=1S/C23H26N4S/c1-2-3-7-16-27-20-13-15-25-22(24-14-12-19-11-8-17-28-19)21(20)26-23(27)18-9-5-4-6-10-18/h4-6,8-11,13,15,17H,2-3,7,12,14,16H2,1H3,(H,24,25)
InChIKeyDQCDTRQALDPRRV-UHFFFAOYSA-N
XLogP6.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine with MolForge

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
1-Benzyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
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E6Clv6G2RR
CID 16750138
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
Imidazopyridine 10e
CID 5329344
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Agl 2043
CID 9817165
Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine (CID 162676520) is 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine is CCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)nccc21.
What is the InChIKey of 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is DQCDTRQALDPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4S/c1-2-3-7-16-27-20-13-15-25-22(24-14-12-19-11-8-17-28-19)21(20)26-23(27)18-9-5-4-6-10-18/h4-6,8-11,13,15,17H,2-3,7,12,14,16H2,1H3,(H,24,25).
What are the key properties of 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 390.56 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 162676520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).