2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine

C24H29ClN4O — CID 129193863

IUPAC2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine
SMILESCCC1=NC(c2cc(-c3cncc(Cl)c3)ccc2C)(C2CCC(OC)CC2)N=C1N
InChIInChI=1S/C24H29ClN4O/c1-4-22-23(26)29-24(28-22,18-7-9-20(30-3)10-8-18)21-12-16(6-5-15(21)2)17-11-19(25)14-27-13-17/h5-6,11-14,18,20H,4,7-10H2,1-3H3,(H2,26,29)
InChIKeyNLERADROXGBIKX-UHFFFAOYSA-N
MW424.98 g/mol
LogP5.29
Rot. Bonds5

About 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine

2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine (PubChem CID 129193863) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine.

Molecular Properties

Compound Name2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine
PubChem CID129193863
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine
SMILESCCC1=NC(c2cc(-c3cncc(Cl)c3)ccc2C)(C2CCC(OC)CC2)N=C1N
InChIInChI=1S/C24H29ClN4O/c1-4-22-23(26)29-24(28-22,18-7-9-20(30-3)10-8-18)21-12-16(6-5-15(21)2)17-11-19(25)14-27-13-17/h5-6,11-14,18,20H,4,7-10H2,1-3H3,(H2,26,29)
InChIKeyNLERADROXGBIKX-UHFFFAOYSA-N
XLogP5.29
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine?
The IUPAC name of 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine (CID 129193863) is 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine.
What is the SMILES notation for 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine?
The canonical SMILES for 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine is CCC1=NC(c2cc(-c3cncc(Cl)c3)ccc2C)(C2CCC(OC)CC2)N=C1N.
What is the InChIKey of 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine?
The InChIKey is NLERADROXGBIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-4-22-23(26)29-24(28-22,18-7-9-20(30-3)10-8-18)21-12-16(6-5-15(21)2)17-11-19(25)14-27-13-17/h5-6,11-14,18,20H,4,7-10H2,1-3H3,(H2,26,29).
What are the key properties of 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine?
2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine has a molecular weight of 424.98 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-3-pyridinyl)-2-methylphenyl]-5-ethyl-2-(4-methoxycyclohexyl)imidazol-4-amine is sourced from PubChem (CID 129193863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).