1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea

C17H24N4O3 — CID 22577977

IUPAC1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NC(C)C
InChIInChI=1S/C17H24N4O3/c1-12(2)19-17(22)20-16-18-11-15(21(16)8-9-23-3)13-6-5-7-14(10-13)24-4/h5-7,10-12H,8-9H2,1-4H3,(H2,18,19,20,22)
InChIKeyXTBAJHAFXKSVKL-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.73
Rot. Bonds7

About 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea

1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea (PubChem CID 22577977) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea
PubChem CID22577977
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NC(C)C
InChIInChI=1S/C17H24N4O3/c1-12(2)19-17(22)20-16-18-11-15(21(16)8-9-23-3)13-6-5-7-14(10-13)24-4/h5-7,10-12H,8-9H2,1-4H3,(H2,18,19,20,22)
InChIKeyXTBAJHAFXKSVKL-UHFFFAOYSA-N
XLogP2.73
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea (CID 22577977) is 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea is COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NC(C)C.
What is the InChIKey of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea?
The InChIKey is XTBAJHAFXKSVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(2)19-17(22)20-16-18-11-15(21(16)8-9-23-3)13-6-5-7-14(10-13)24-4/h5-7,10-12H,8-9H2,1-4H3,(H2,18,19,20,22).
What are the key properties of 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea?
1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea has a molecular weight of 332.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 22577977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).