1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea

C22H24N6O — CID 130424613

IUPAC1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H24N6O/c1-22(2,3)19-13-20(27(4)26-19)25-21(29)24-15-9-11-16(12-10-15)28-14-23-17-7-5-6-8-18(17)28/h5-14H,1-4H3,(H2,24,25,29)
InChIKeyKUOHZYQAOHIPKB-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.70
Rot. Bonds3

About 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea

1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea (PubChem CID 130424613) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
PubChem CID130424613
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H24N6O/c1-22(2,3)19-13-20(27(4)26-19)25-21(29)24-15-9-11-16(12-10-15)28-14-23-17-7-5-6-8-18(17)28/h5-14H,1-4H3,(H2,24,25,29)
InChIKeyKUOHZYQAOHIPKB-UHFFFAOYSA-N
XLogP4.70
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(benzimidazol-1-yl)phenyl]-3-[3-tert-butyl-1-(2-fluorophenyl)pyrazol-5-yl]urea
CID 130424406
5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide
CID 130424443
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119834362
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112
1-[4-(benzimidazol-1-yl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 130424438
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide
CID 75413355
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
1-[1-(4-aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea?
The IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea (CID 130424613) is 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea is Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea?
The InChIKey is KUOHZYQAOHIPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-22(2,3)19-13-20(27(4)26-19)25-21(29)24-15-9-11-16(12-10-15)28-14-23-17-7-5-6-8-18(17)28/h5-14H,1-4H3,(H2,24,25,29).
What are the key properties of 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea?
1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea has a molecular weight of 388.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 130424613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).