3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one

C26H22N6O — CID 90949610

IUPAC3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccc(-c2c(NCc3ccc4[nH]ccc4c3)[nH]c(=O)n2-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C26H22N6O/c1-16-2-5-18(6-3-16)24-25(28-14-17-4-8-21-19(12-17)10-11-27-21)31-26(33)32(24)20-7-9-22-23(13-20)30-15-29-22/h2-13,15,27-28H,14H2,1H3,(H,29,30)(H,31,33)
InChIKeyBFUCCHIJCSSRRN-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.11
Rot. Bonds5

About 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one

3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one (PubChem CID 90949610) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one
PubChem CID90949610
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccc(-c2c(NCc3ccc4[nH]ccc4c3)[nH]c(=O)n2-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C26H22N6O/c1-16-2-5-18(6-3-16)24-25(28-14-17-4-8-21-19(12-17)10-11-27-21)31-26(33)32(24)20-7-9-22-23(13-20)30-15-29-22/h2-13,15,27-28H,14H2,1H3,(H,29,30)(H,31,33)
InChIKeyBFUCCHIJCSSRRN-UHFFFAOYSA-N
XLogP5.11
TPSA94.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3H-benzimidazol-5-yl)-4-(3,5-dibromophenyl)-5-(1H-indol-5-ylmethylamino)-1H-imidazole-2-thione
CID 91109155
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-5-sulfanyl-1H-imidazol-2-one
CID 91401540
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one
CID 91610083
5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one
CID 90741326
2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 83326035
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044
3-(3H-benzimidazol-5-yl)-5-(benzotriazol-1-ylmethylamino)-4-(3-methylphenyl)-1H-imidazole-2-thione
CID 91182940

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one (CID 90949610) is 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one is Cc1ccc(-c2c(NCc3ccc4[nH]ccc4c3)[nH]c(=O)n2-c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one?
The InChIKey is BFUCCHIJCSSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-16-2-5-18(6-3-16)24-25(28-14-17-4-8-21-19(12-17)10-11-27-21)31-26(33)32(24)20-7-9-22-23(13-20)30-15-29-22/h2-13,15,27-28H,14H2,1H3,(H,29,30)(H,31,33).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one?
3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one has a molecular weight of 434.50 g/mol, XLogP of 5.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-(1H-indol-5-ylmethylamino)-4-(4-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 90949610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).