5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide

C21H22N6O — CID 130424443

IUPAC5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide
SMILESCC(C)(C)c1cc(N)n(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C21H22N6O/c1-21(2,3)18-12-19(22)27(25-18)20(28)24-14-8-10-15(11-9-14)26-13-23-16-6-4-5-7-17(16)26/h4-13H,22H2,1-3H3,(H,24,28)
InChIKeyUPFQQVSLDLDLDW-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.18
Rot. Bonds2

About 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide

5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide (PubChem CID 130424443) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide
PubChem CID130424443
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide
SMILESCC(C)(C)c1cc(N)n(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C21H22N6O/c1-21(2,3)18-12-19(22)27(25-18)20(28)24-14-8-10-15(11-9-14)26-13-23-16-6-4-5-7-17(16)26/h4-13H,22H2,1-3H3,(H,24,28)
InChIKeyUPFQQVSLDLDLDW-UHFFFAOYSA-N
XLogP4.18
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 130424613
5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide
CID 130424549
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119834362
1-[4-(benzimidazol-1-yl)phenyl]-3-[3-tert-butyl-1-(2-fluorophenyl)pyrazol-5-yl]urea
CID 130424406
(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide
CID 75413355
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78803455

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide?
The IUPAC name of 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide (CID 130424443) is 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide?
The canonical SMILES for 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide is CC(C)(C)c1cc(N)n(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n1.
What is the InChIKey of 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide?
The InChIKey is UPFQQVSLDLDLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-21(2,3)18-12-19(22)27(25-18)20(28)24-14-8-10-15(11-9-14)26-13-23-16-6-4-5-7-17(16)26/h4-13H,22H2,1-3H3,(H,24,28).
What are the key properties of 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide?
5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide is sourced from PubChem (CID 130424443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).