1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea

C18H26N4O2 — CID 111474632

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C18H26N4O2/c1-3-5-14(8-11-23)13-20-18(24)21-16-7-4-6-15(12-16)17-19-9-10-22(17)2/h4,6-7,9-10,12,14,23H,3,5,8,11,13H2,1-2H3,(H2,20,21,24)
InChIKeySUUNJAVNTHBYIR-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.01
Rot. Bonds8

About 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea

1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea (PubChem CID 111474632) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
PubChem CID111474632
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C18H26N4O2/c1-3-5-14(8-11-23)13-20-18(24)21-16-7-4-6-15(12-16)17-19-9-10-22(17)2/h4,6-7,9-10,12,14,23H,3,5,8,11,13H2,1-2H3,(H2,20,21,24)
InChIKeySUUNJAVNTHBYIR-UHFFFAOYSA-N
XLogP3.01
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,5-dimethylhexyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453466
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-(5-hydroxy-4,4-dimethylpentyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474629
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 71992331
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473744
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea (CID 111474632) is 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea is CCCC(CCO)CNC(=O)Nc1cccc(-c2nccn2C)c1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The InChIKey is SUUNJAVNTHBYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-5-14(8-11-23)13-20-18(24)21-16-7-4-6-15(12-16)17-19-9-10-22(17)2/h4,6-7,9-10,12,14,23H,3,5,8,11,13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea has a molecular weight of 330.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea is sourced from PubChem (CID 111474632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).