1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea

C18H22N6O — CID 171801089

IUPAC1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)N[C@H](C)c2ccn[nH]2)cc1
InChIInChI=1S/C18H22N6O/c1-12(17-8-9-20-23-17)21-18(25)22-16-6-4-15(5-7-16)13(2)24-11-10-19-14(24)3/h4-13H,1-3H3,(H,20,23)(H2,21,22,25)/t12-,13-/m1/s1
InChIKeyIYDXSJRPRHZHLE-CHWSQXEVSA-N
MW338.42 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea

1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea (PubChem CID 171801089) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
PubChem CID171801089
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)N[C@H](C)c2ccn[nH]2)cc1
InChIInChI=1S/C18H22N6O/c1-12(17-8-9-20-23-17)21-18(25)22-16-6-4-15(5-7-16)13(2)24-11-10-19-14(24)3/h4-13H,1-3H3,(H,20,23)(H2,21,22,25)/t12-,13-/m1/s1
InChIKeyIYDXSJRPRHZHLE-CHWSQXEVSA-N
XLogP3.41
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea
CID 171801136
phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801207
phenyl N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801428
1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801368
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
CID 171801159
1-[(4-fluoro-2-pyridinyl)methyl]-3-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801164
N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
CID 171801254
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
(1S,4R)-1-ethyl-N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 171801410
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60971782
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 97453233

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea?
The IUPAC name of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea (CID 171801089) is 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea is Cc1nccn1[C@H](C)c1ccc(NC(=O)N[C@H](C)c2ccn[nH]2)cc1.
What is the InChIKey of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea?
The InChIKey is IYDXSJRPRHZHLE-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(17-8-9-20-23-17)21-18(25)22-16-6-4-15(5-7-16)13(2)24-11-10-19-14(24)3/h4-13H,1-3H3,(H,20,23)(H2,21,22,25)/t12-,13-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea?
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea has a molecular weight of 338.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea is sourced from PubChem (CID 171801089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).