4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide

C25H28N6O2 — CID 154836812

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4nc(CN5CCOCC5)[nH]c4c3)cc2)n1
InChIInChI=1S/C25H28N6O2/c1-17-13-18(2)31(29-17)15-19-3-5-20(6-4-19)25(32)26-21-7-8-22-23(14-21)28-24(27-22)16-30-9-11-33-12-10-30/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyBBYNQLVPZOLQFD-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.51
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 154836812) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID154836812
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4nc(CN5CCOCC5)[nH]c4c3)cc2)n1
InChIInChI=1S/C25H28N6O2/c1-17-13-18(2)31(29-17)15-19-3-5-20(6-4-19)25(32)26-21-7-8-22-23(14-21)28-24(27-22)16-30-9-11-33-12-10-30/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyBBYNQLVPZOLQFD-UHFFFAOYSA-N
XLogP3.51
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47838444
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47838565
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 60604198
2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 47799919
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
1-butan-2-yl-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 119047356
1-[(2R)-butan-2-yl]-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 124743032
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86868473

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide (CID 154836812) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4nc(CN5CCOCC5)[nH]c4c3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is BBYNQLVPZOLQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-17-13-18(2)31(29-17)15-19-3-5-20(6-4-19)25(32)26-21-7-8-22-23(14-21)28-24(27-22)16-30-9-11-33-12-10-30/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,32)(H,27,28).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 154836812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).