N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide

C25H30N6O2 — CID 23581727

IUPACN-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide
SMILESCCn1c(=O)n(CC)c2cc(-c3cn(CC(=O)NCCN)nc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C25H30N6O2/c1-4-30-21-10-9-18(14-22(21)31(5-2)25(30)33)20-15-29(16-23(32)27-12-11-26)28-24(20)19-8-6-7-17(3)13-19/h6-10,13-15H,4-5,11-12,16,26H2,1-3H3,(H,27,32)
InChIKeyXMHVFHOXPBKCKR-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.76
Rot. Bonds8

About N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide

N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide (PubChem CID 23581727) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide
PubChem CID23581727
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide
SMILESCCn1c(=O)n(CC)c2cc(-c3cn(CC(=O)NCCN)nc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C25H30N6O2/c1-4-30-21-10-9-18(14-22(21)31(5-2)25(30)33)20-15-29(16-23(32)27-12-11-26)28-24(20)19-8-6-7-17(3)13-19/h6-10,13-15H,4-5,11-12,16,26H2,1-3H3,(H,27,32)
InChIKeyXMHVFHOXPBKCKR-UHFFFAOYSA-N
XLogP2.76
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 23581508
1,3-diethyl-5-[3-(3-methylphenyl)-1-prop-2-enylpyrazol-4-yl]benzimidazol-2-one
CID 22063941
2-[5-amino-4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 22063829
1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
CID 23647076
5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
CID 23581594
1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
1,3-diethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 22063936
1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one
CID 23581363
5-[3-(butylamino)-5-(3-methylphenyl)-1H-pyrazol-4-yl]-1,3-diethylbenzimidazol-2-one
CID 142168745
1,3-diethyl-5-[1-[2-(2-methoxyethylamino)ethyl]-5-(3-methylphenyl)pyrazol-4-yl]benzimidazol-2-one
CID 22063802
1-ethyl-3-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 20848730
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18121427

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide (CID 23581727) is N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide is CCn1c(=O)n(CC)c2cc(-c3cn(CC(=O)NCCN)nc3-c3cccc(C)c3)ccc21.
What is the InChIKey of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide?
The InChIKey is XMHVFHOXPBKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-4-30-21-10-9-18(14-22(21)31(5-2)25(30)33)20-15-29(16-23(32)27-12-11-26)28-24(20)19-8-6-7-17(3)13-19/h6-10,13-15H,4-5,11-12,16,26H2,1-3H3,(H,27,32).
What are the key properties of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide?
N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide has a molecular weight of 446.56 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 23581727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).