1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea

C18H24N4O2 — CID 97048929

IUPAC1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
SMILESCc1nccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](O)C2CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-12(21-18(24)20-11-17(23)15-3-4-15)14-5-7-16(8-6-14)22-10-9-19-13(22)2/h5-10,12,15,17,23H,3-4,11H2,1-2H3,(H2,20,21,24)/t12-,17+/m1/s1
InChIKeyQBCBBAVUEWVFGZ-PXAZEXFGSA-N
MW328.42 g/mol
LogP2.31
Rot. Bonds6

About 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea

1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea (PubChem CID 97048929) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
PubChem CID97048929
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
SMILESCc1nccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](O)C2CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-12(21-18(24)20-11-17(23)15-3-4-15)14-5-7-16(8-6-14)22-10-9-19-13(22)2/h5-10,12,15,17,23H,3-4,11H2,1-2H3,(H2,20,21,24)/t12-,17+/m1/s1
InChIKeyQBCBBAVUEWVFGZ-PXAZEXFGSA-N
XLogP2.31
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
CID 71857227
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897640
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867503
3-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]azetidine-1-carboxamide
CID 119034753
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
CID 99717701
(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 97103592
1-[1-(4-cyanophenyl)ethyl]-3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47768484
2-[ethyl-[3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]cyclobutyl]amino]acetic acid
CID 122042199
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 75515414
1-[2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 126671739

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea?
The IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea (CID 97048929) is 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea is Cc1nccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](O)C2CC2)cc1.
What is the InChIKey of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea?
The InChIKey is QBCBBAVUEWVFGZ-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(21-18(24)20-11-17(23)15-3-4-15)14-5-7-16(8-6-14)22-10-9-19-13(22)2/h5-10,12,15,17,23H,3-4,11H2,1-2H3,(H2,20,21,24)/t12-,17+/m1/s1.
What are the key properties of 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea?
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea is sourced from PubChem (CID 97048929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).