1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

C19H18F2N4O2 — CID 126784919

IUPAC1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)Nc1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C19H18F2N4O2/c20-16(21)17-24-14-6-5-12(9-15(14)25-17)23-18(26)22-10-19(27)8-7-11-3-1-2-4-13(11)19/h1-6,9,16,27H,7-8,10H2,(H,24,25)(H2,22,23,26)
InChIKeyVSMNIWRYUSKZOB-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (PubChem CID 126784919) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
PubChem CID126784919
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)Nc1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C19H18F2N4O2/c20-16(21)17-24-14-6-5-12(9-15(14)25-17)23-18(26)22-10-19(27)8-7-11-3-1-2-4-13(11)19/h1-6,9,16,27H,7-8,10H2,(H,24,25)(H2,22,23,26)
InChIKeyVSMNIWRYUSKZOB-UHFFFAOYSA-N
XLogP3.46
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 126789939
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1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
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1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 71906546
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CID 155945331
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
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1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[2-(4,5-dimethylimidazol-1-yl)ethyl]urea
CID 166313121
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[1-(2-fluorophenyl)pyrrolidin-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The IUPAC name of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (CID 126784919) is 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.
What is the SMILES notation for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The canonical SMILES for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is O=C(NCC1(O)CCc2ccccc21)Nc1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The InChIKey is VSMNIWRYUSKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-16(21)17-24-14-6-5-12(9-15(14)25-17)23-18(26)22-10-19(27)8-7-11-3-1-2-4-13(11)19/h1-6,9,16,27H,7-8,10H2,(H,24,25)(H2,22,23,26).
What are the key properties of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea has a molecular weight of 372.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is sourced from PubChem (CID 126784919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).