1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea

C21H22N6O — CID 58011032

IUPAC1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccccc2)n1
InChIInChI=1S/C21H22N6O/c1-21(2,3)17-13-18(27(26-17)14-9-5-4-6-10-14)24-20(28)25-19-22-15-11-7-8-12-16(15)23-19/h4-13H,1-3H3,(H3,22,23,24,25,28)
InChIKeyYTONTHMTCTUXQA-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.69
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea

1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea (PubChem CID 58011032) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
PubChem CID58011032
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccccc2)n1
InChIInChI=1S/C21H22N6O/c1-21(2,3)17-13-18(27(26-17)14-9-5-4-6-10-14)24-20(28)25-19-22-15-11-7-8-12-16(15)23-19/h4-13H,1-3H3,(H3,22,23,24,25,28)
InChIKeyYTONTHMTCTUXQA-UHFFFAOYSA-N
XLogP4.69
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
N-[[4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide;N-[[4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 159440842
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
1-[3-tert-butyl-1-[4-(phenylsulfamoyl)phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea
CID 58760599
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(1H-indol-3-yl)phenyl]urea
CID 141145760
1-(1H-benzimidazol-2-yl)-3-[3-tert-butyl-1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]urea;1-[3-tert-butyl-1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-(1H-indol-5-yl)urea;1-[3-tert-butyl-1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-(4-phenyl-1,3-thiazol-2-yl)urea;1-[3-tert-butyl-1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-quinolin-2-ylurea
CID 159706704
N-(3-tert-butyl-1-phenylpyrazol-5-yl)adamantane-1-carboxamide
CID 3883319

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea (CID 58011032) is 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea is CC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea?
The InChIKey is YTONTHMTCTUXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-21(2,3)17-13-18(27(26-17)14-9-5-4-6-10-14)24-20(28)25-19-22-15-11-7-8-12-16(15)23-19/h4-13H,1-3H3,(H3,22,23,24,25,28).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea?
1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea has a molecular weight of 374.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 58011032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).