N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide

C29H28N6O2 — CID 3237988

IUPACN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C29H28N6O2/c36-28(24-21-35(23-11-5-2-6-12-23)32-27(24)22-9-3-1-4-10-22)31-29-30-25-13-7-8-14-26(25)34(29)16-15-33-17-19-37-20-18-33/h1-14,21H,15-20H2,(H,30,31,36)
InChIKeyYQFMOQZODCMSKW-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.47
Rot. Bonds7

About N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide

N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 3237988) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID3237988
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C29H28N6O2/c36-28(24-21-35(23-11-5-2-6-12-23)32-27(24)22-9-3-1-4-10-22)31-29-30-25-13-7-8-14-26(25)34(29)16-15-33-17-19-37-20-18-33/h1-14,21H,15-20H2,(H,30,31,36)
InChIKeyYQFMOQZODCMSKW-UHFFFAOYSA-N
XLogP4.47
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide (CID 3237988) is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide is O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is YQFMOQZODCMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c36-28(24-21-35(23-11-5-2-6-12-23)32-27(24)22-9-3-1-4-10-22)31-29-30-25-13-7-8-14-26(25)34(29)16-15-33-17-19-37-20-18-33/h1-14,21H,15-20H2,(H,30,31,36).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 3237988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).