1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

C17H22N6O2 — CID 49281031

IUPAC1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)Cn1cccn1
InChIInChI=1S/C17H22N6O2/c1-12(11-23-8-4-7-19-23)10-18-16(24)20-13-5-6-14-15(9-13)22(3)17(25)21(14)2/h4-9,12H,10-11H2,1-3H3,(H2,18,20,24)
InChIKeyWIWGXMFPBOOIBA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.53
Rot. Bonds5

About 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (PubChem CID 49281031) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
PubChem CID49281031
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)Cn1cccn1
InChIInChI=1S/C17H22N6O2/c1-12(11-23-8-4-7-19-23)10-18-16(24)20-13-5-6-14-15(9-13)22(3)17(25)21(14)2/h4-9,12H,10-11H2,1-3H3,(H2,18,20,24)
InChIKeyWIWGXMFPBOOIBA-UHFFFAOYSA-N
XLogP1.53
TPSA85.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 51961680
2-methyl-2-[4-[[(2S)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]propanamide
CID 95981249
1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
CID 94437016
1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 95761803
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 46981076
methyl 3-(dimethylamino)-4-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoylamino]benzoate
CID 102562954
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 138047454
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379800
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 60562797

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (CID 49281031) is 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is CC(CNC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)Cn1cccn1.
What is the InChIKey of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The InChIKey is WIWGXMFPBOOIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(11-23-8-4-7-19-23)10-18-16(24)20-13-5-6-14-15(9-13)22(3)17(25)21(14)2/h4-9,12H,10-11H2,1-3H3,(H2,18,20,24).
What are the key properties of 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea has a molecular weight of 342.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 49281031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).