1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea

C15H18F2N4O2 — CID 126789939

IUPAC1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CCO)CC1)Nc1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C15H18F2N4O2/c16-12(17)13-20-10-2-1-9(7-11(10)21-13)19-14(23)18-8-15(3-4-15)5-6-22/h1-2,7,12,22H,3-6,8H2,(H,20,21)(H2,18,19,23)
InChIKeyDGMXSTAOGCMUIN-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.78
Rot. Bonds6

About 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea

1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea (PubChem CID 126789939) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
PubChem CID126789939
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CCO)CC1)Nc1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C15H18F2N4O2/c16-12(17)13-20-10-2-1-9(7-11(10)21-13)19-14(23)18-8-15(3-4-15)5-6-22/h1-2,7,12,22H,3-6,8H2,(H,20,21)(H2,18,19,23)
InChIKeyDGMXSTAOGCMUIN-UHFFFAOYSA-N
XLogP2.78
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]urea
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CID 71906546
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[2-(4,5-dimethylimidazol-1-yl)ethyl]urea
CID 166313121
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CID 98034048
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CID 97246512
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
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CID 75391622
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 166187226
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 155945331
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea (CID 126789939) is 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea is O=C(NCC1(CCO)CC1)Nc1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
The InChIKey is DGMXSTAOGCMUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c16-12(17)13-20-10-2-1-9(7-11(10)21-13)19-14(23)18-8-15(3-4-15)5-6-22/h1-2,7,12,22H,3-6,8H2,(H,20,21)(H2,18,19,23).
What are the key properties of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea?
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea has a molecular weight of 324.33 g/mol, XLogP of 2.78, 6 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-(2-hydroxyethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 126789939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).