5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide

C26H24N6O — CID 154859017

IUPAC5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H24N6O/c1-17-23(24(27)32(31-17)16-19-7-3-2-4-8-19)26(33)28-15-18-11-13-20(14-12-18)25-29-21-9-5-6-10-22(21)30-25/h2-14H,15-16,27H2,1H3,(H,28,33)(H,29,30)
InChIKeyCNJAFSUWUDNSQM-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.30
Rot. Bonds6

About 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide

5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide (PubChem CID 154859017) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
PubChem CID154859017
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H24N6O/c1-17-23(24(27)32(31-17)16-19-7-3-2-4-8-19)26(33)28-15-18-11-13-20(14-12-18)25-29-21-9-5-6-10-22(21)30-25/h2-14H,15-16,27H2,1H3,(H,28,33)(H,29,30)
InChIKeyCNJAFSUWUDNSQM-UHFFFAOYSA-N
XLogP4.30
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
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1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide (CID 154859017) is 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
The InChIKey is CNJAFSUWUDNSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-17-23(24(27)32(31-17)16-19-7-3-2-4-8-19)26(33)28-15-18-11-13-20(14-12-18)25-29-21-9-5-6-10-22(21)30-25/h2-14H,15-16,27H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154859017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).