N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide

C23H23N5O — CID 126838804

IUPACN-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C2CCC2)c1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C23H23N5O/c1-27-22(19(13-25-27)17-5-4-6-17)23(29)26-18-11-9-16(10-12-18)14-28-15-24-20-7-2-3-8-21(20)28/h2-3,7-13,15,17H,4-6,14H2,1H3,(H,26,29)
InChIKeyFRDRBXUQIKFDFX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.34
Rot. Bonds5

About N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide

N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide (PubChem CID 126838804) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide
PubChem CID126838804
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C2CCC2)c1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C23H23N5O/c1-27-22(19(13-25-27)17-5-4-6-17)23(29)26-18-11-9-16(10-12-18)14-28-15-24-20-7-2-3-8-21(20)28/h2-3,7-13,15,17H,4-6,14H2,1H3,(H,26,29)
InChIKeyFRDRBXUQIKFDFX-UHFFFAOYSA-N
XLogP4.34
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide (CID 126838804) is N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide is Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide?
The InChIKey is FRDRBXUQIKFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27-22(19(13-25-27)17-5-4-6-17)23(29)26-18-11-9-16(10-12-18)14-28-15-24-20-7-2-3-8-21(20)28/h2-3,7-13,15,17H,4-6,14H2,1H3,(H,26,29).
What are the key properties of N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide?
N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-ylmethyl)phenyl]-4-cyclobutyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 126838804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).