5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one

C21H23N5O — CID 23581594

IUPAC5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3[nH]c(N)nc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C21H23N5O/c1-4-25-16-10-9-15(12-17(16)26(5-2)21(25)27)19-18(23-20(22)24-19)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3,(H3,22,23,24)
InChIKeyPJGVGRVJCHSMPT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.79
Rot. Bonds4

About 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one

5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one (PubChem CID 23581594) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
PubChem CID23581594
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3[nH]c(N)nc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C21H23N5O/c1-4-25-16-10-9-15(12-17(16)26(5-2)21(25)27)19-18(23-20(22)24-19)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3,(H3,22,23,24)
InChIKeyPJGVGRVJCHSMPT-UHFFFAOYSA-N
XLogP3.79
TPSA81.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-diethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 22063936
1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
CID 23647076
3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
CID 23581521
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-[3-(3-methylphenyl)-1-prop-2-enylpyrazol-4-yl]benzimidazol-2-one
CID 22063941
N-[4-[3-(aminomethyl)-1-ethyl-2-oxobenzimidazol-5-yl]-5-phenyl-1H-imidazol-2-yl]acetamide
CID 142168705
5-[3-(butylamino)-5-(3-methylphenyl)-1H-pyrazol-4-yl]-1,3-diethylbenzimidazol-2-one
CID 142168745
1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
CID 22063831
1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one
CID 23581363
N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide
CID 23581727
5-[3-amino-5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1,3-diethylbenzimidazol-2-one
CID 23581625

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one?
The IUPAC name of 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one (CID 23581594) is 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one.
What is the SMILES notation for 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one?
The canonical SMILES for 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3[nH]c(N)nc3-c3cccc(C)c3)ccc21.
What is the InChIKey of 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one?
The InChIKey is PJGVGRVJCHSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-25-16-10-9-15(12-17(16)26(5-2)21(25)27)19-18(23-20(22)24-19)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3,(H3,22,23,24).
What are the key properties of 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one?
5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one is sourced from PubChem (CID 23581594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).