1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C21H22N4O — CID 60580591

IUPAC1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccccc1-n1ccnc1)NC1CCCc2ccccc21
InChIInChI=1S/C21H22N4O/c26-21(24-19-10-5-8-16-6-1-3-9-18(16)19)23-14-17-7-2-4-11-20(17)25-13-12-22-15-25/h1-4,6-7,9,11-13,15,19H,5,8,10,14H2,(H2,23,24,26)
InChIKeyURBQJESFQWKZJJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.75
Rot. Bonds4

About 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 60580591) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID60580591
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccccc1-n1ccnc1)NC1CCCc2ccccc21
InChIInChI=1S/C21H22N4O/c26-21(24-19-10-5-8-16-6-1-3-9-18(16)19)23-14-17-7-2-4-11-20(17)25-13-12-22-15-25/h1-4,6-7,9,11-13,15,19H,5,8,10,14H2,(H2,23,24,26)
InChIKeyURBQJESFQWKZJJ-UHFFFAOYSA-N
XLogP3.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 30867258
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
4-imidazol-1-yl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5000431
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
1-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451567
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
1-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 95299077
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580789
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895

Frequently Asked Questions

What is the IUPAC name of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 60580591) is 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(NCc1ccccc1-n1ccnc1)NC1CCCc2ccccc21.
What is the InChIKey of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is URBQJESFQWKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-19-10-5-8-16-6-1-3-9-18(16)19)23-14-17-7-2-4-11-20(17)25-13-12-22-15-25/h1-4,6-7,9,11-13,15,19H,5,8,10,14H2,(H2,23,24,26).
What are the key properties of 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 346.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 60580591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).