1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea

C19H26N4O3 — CID 22577969

IUPAC1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NC1CCCC1
InChIInChI=1S/C19H26N4O3/c1-25-11-10-23-17(14-6-5-9-16(12-14)26-2)13-20-18(23)22-19(24)21-15-7-3-4-8-15/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyNYTQZBKFVYRZLH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.27
Rot. Bonds7

About 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea

1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea (PubChem CID 22577969) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
PubChem CID22577969
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NC1CCCC1
InChIInChI=1S/C19H26N4O3/c1-25-11-10-23-17(14-6-5-9-16(12-14)26-2)13-20-18(23)22-19(24)21-15-7-3-4-8-15/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyNYTQZBKFVYRZLH-UHFFFAOYSA-N
XLogP3.27
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea (CID 22577969) is 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea is COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
The InChIKey is NYTQZBKFVYRZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-25-11-10-23-17(14-6-5-9-16(12-14)26-2)13-20-18(23)22-19(24)21-15-7-3-4-8-15/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea has a molecular weight of 358.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea is sourced from PubChem (CID 22577969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).