[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid

C24H24N4O3 — CID 18440792

IUPAC[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
SMILESCOc1ccc2cc(-c3nc(C(C)(C)CNC(=O)O)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C24H24N4O3/c1-24(2,14-26-23(29)30)22-27-20(15-8-10-25-11-9-15)21(28-22)18-5-4-17-13-19(31-3)7-6-16(17)12-18/h4-13,26H,14H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyZQTKFAVPDOHGLG-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.85
Rot. Bonds6

About [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid

[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid (PubChem CID 18440792) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
PubChem CID18440792
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
SMILESCOc1ccc2cc(-c3nc(C(C)(C)CNC(=O)O)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C24H24N4O3/c1-24(2,14-26-23(29)30)22-27-20(15-8-10-25-11-9-15)21(28-22)18-5-4-17-13-19(31-3)7-6-16(17)12-18/h4-13,26H,14H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyZQTKFAVPDOHGLG-UHFFFAOYSA-N
XLogP4.85
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
The IUPAC name of [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid (CID 18440792) is [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid.
What is the SMILES notation for [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
The canonical SMILES for [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid is COc1ccc2cc(-c3nc(C(C)(C)CNC(=O)O)[nH]c3-c3ccncc3)ccc2c1.
What is the InChIKey of [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
The InChIKey is ZQTKFAVPDOHGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-24(2,14-26-23(29)30)22-27-20(15-8-10-25-11-9-15)21(28-22)18-5-4-17-13-19(31-3)7-6-16(17)12-18/h4-13,26H,14H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid?
[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid has a molecular weight of 416.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid is sourced from PubChem (CID 18440792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).