3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

C21H28N4O2 — CID 87003466

IUPAC3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESO=C(NCCc1nccn1Cc1ccccc1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C21H28N4O2/c26-21(25(19-6-7-19)15-18-9-13-27-16-18)23-10-8-20-22-11-12-24(20)14-17-4-2-1-3-5-17/h1-5,11-12,18-19H,6-10,13-16H2,(H,23,26)
InChIKeyZUPPWVJFSISQMV-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.68
Rot. Bonds8

About 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 87003466) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
PubChem CID87003466
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESO=C(NCCc1nccn1Cc1ccccc1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C21H28N4O2/c26-21(25(19-6-7-19)15-18-9-13-27-16-18)23-10-8-20-22-11-12-24(20)14-17-4-2-1-3-5-17/h1-5,11-12,18-19H,6-10,13-16H2,(H,23,26)
InChIKeyZUPPWVJFSISQMV-UHFFFAOYSA-N
XLogP2.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 42951665
3-[(1-benzylpyrazol-4-yl)methyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87007523
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94124059
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dimethylpiperidine-1-carboxamide
CID 75468026
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 126773827
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 95124344
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852704

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (CID 87003466) is 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is O=C(NCCc1nccn1Cc1ccccc1)N(CC1CCOC1)C1CC1.
What is the InChIKey of 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is ZUPPWVJFSISQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(25(19-6-7-19)15-18-9-13-27-16-18)23-10-8-20-22-11-12-24(20)14-17-4-2-1-3-5-17/h1-5,11-12,18-19H,6-10,13-16H2,(H,23,26).
What are the key properties of 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 368.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 87003466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).