1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea

C20H22N4O — CID 36870824

IUPAC1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)22-20(25)23-16(2)18-8-10-19(11-9-18)24-13-12-21-14-24/h3-16H,1-2H3,(H2,22,23,25)/t15-,16-/m1/s1
InChIKeyBIKHQVROWBVBSZ-HZPDHXFCSA-N
MW334.42 g/mol
LogP3.99
Rot. Bonds5

About 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 36870824) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
PubChem CID36870824
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)22-20(25)23-16(2)18-8-10-19(11-9-18)24-13-12-21-14-24/h3-16H,1-2H3,(H2,22,23,25)/t15-,16-/m1/s1
InChIKeyBIKHQVROWBVBSZ-HZPDHXFCSA-N
XLogP3.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1-benzyl-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 51928394
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpentyl)urea
CID 33385512
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea (CID 36870824) is 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is BIKHQVROWBVBSZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)22-20(25)23-16(2)18-8-10-19(11-9-18)24-13-12-21-14-24/h3-16H,1-2H3,(H2,22,23,25)/t15-,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea?
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 334.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 36870824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).