1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C19H26N4O2 — CID 97075881

IUPAC1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCn1ccnc1CNC(=O)N(CCCO)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-22-12-10-20-18(22)14-21-19(25)23(11-5-13-24)17-9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8,10,12,17,24H,4-5,7,9,11,13-14H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyYCCQOUVGMUKRLM-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.39
Rot. Bonds6

About 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 97075881) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID97075881
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCn1ccnc1CNC(=O)N(CCCO)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-22-12-10-20-18(22)14-21-19(25)23(11-5-13-24)17-9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8,10,12,17,24H,4-5,7,9,11,13-14H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyYCCQOUVGMUKRLM-QGZVFWFLSA-N
XLogP2.39
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020246
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96536191
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
1-(2-hydroxyethyl)-3-[(3-methyl-2-pyridinyl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97073045
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97034691
N-[(1-methylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromene-3-carboxamide
CID 42794202
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
CID 97034829
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-2-ylurea
CID 97083594
1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
1-(2-hydroxyethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(thiophen-3-ylmethyl)urea
CID 97083678

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 97075881) is 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is Cn1ccnc1CNC(=O)N(CCCO)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is YCCQOUVGMUKRLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-12-10-20-18(22)14-21-19(25)23(11-5-13-24)17-9-4-7-15-6-2-3-8-16(15)17/h2-3,6,8,10,12,17,24H,4-5,7,9,11,13-14H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 97075881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).