1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea

C24H24N2O2 — CID 55769875

IUPAC1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc2C1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c27-24(25-16-18-15-21-13-7-8-14-22(21)28-17-18)26-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,18,23H,15-17H2,(H2,25,26,27)
InChIKeyOCQVAXCUUHTYTG-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.33
Rot. Bonds5

About 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea

1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea (PubChem CID 55769875) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
PubChem CID55769875
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc2C1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c27-24(25-16-18-15-21-13-7-8-14-22(21)28-17-18)26-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,18,23H,15-17H2,(H2,25,26,27)
InChIKeyOCQVAXCUUHTYTG-UHFFFAOYSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 94151870
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea
CID 96518480
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
CID 95160669
1-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(1S,3R)-3-methylsulfanylcyclopentyl]urea
CID 98773131
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea?
The IUPAC name of 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea (CID 55769875) is 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea?
The canonical SMILES for 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea is O=C(NCC1COc2ccccc2C1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea?
The InChIKey is OCQVAXCUUHTYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(25-16-18-15-21-13-7-8-14-22(21)28-17-18)26-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,18,23H,15-17H2,(H2,25,26,27).
What are the key properties of 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea?
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea has a molecular weight of 372.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea is sourced from PubChem (CID 55769875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).