1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea

C17H17N5O — CID 18129096

IUPAC1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
SMILESCC(NC(=O)Nc1cccnc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H17N5O/c1-13(20-17(23)21-15-3-2-8-18-11-15)14-4-6-16(7-5-14)22-10-9-19-12-22/h2-13H,1H3,(H2,20,21,23)
InChIKeyIXOAEONXPYJILL-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.15
Rot. Bonds4

About 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea

1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea (PubChem CID 18129096) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
PubChem CID18129096
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
SMILESCC(NC(=O)Nc1cccnc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H17N5O/c1-13(20-17(23)21-15-3-2-8-18-11-15)14-4-6-16(7-5-14)22-10-9-19-12-22/h2-13H,1H3,(H2,20,21,23)
InChIKeyIXOAEONXPYJILL-UHFFFAOYSA-N
XLogP3.15
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
CID 33385512
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 41119508
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 40713205
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea (CID 18129096) is 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea is CC(NC(=O)Nc1cccnc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea?
The InChIKey is IXOAEONXPYJILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13(20-17(23)21-15-3-2-8-18-11-15)14-4-6-16(7-5-14)22-10-9-19-12-22/h2-13H,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea?
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea has a molecular weight of 307.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 18129096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).