1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline

C32H29N5O — CID 158190381

IUPAC1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline
SMILESC=C1C=Cc2ccccc2N1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ocnc2c1
InChIInChI=1S/C10H9N.C8H9N.C7H6N2.C7H5NO/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7/h2-7,11H,1H2;1-4,9H,5-6H2;1-5H,(H,8,9);1-5H
InChIKeyFZRINUFKAPSJFN-UHFFFAOYSA-N
MW499.62 g/mol
LogP7.68
Rot. Bonds

About 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline

1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline (PubChem CID 158190381) has the molecular formula C32H29N5O and a molecular weight of 499.62 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline
PubChem CID158190381
Molecular FormulaC32H29N5O
Molecular Weight499.62 g/mol
Exact Mass499.24
IUPAC Name1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline
SMILESC=C1C=Cc2ccccc2N1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ocnc2c1
InChIInChI=1S/C10H9N.C8H9N.C7H6N2.C7H5NO/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7/h2-7,11H,1H2;1-4,9H,5-6H2;1-5H,(H,8,9);1-5H
InChIKeyFZRINUFKAPSJFN-UHFFFAOYSA-N
XLogP7.68
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 57.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-Benzoimidazol-5-yl)-benzooxazole
CID 831980
Benzooxazol-2-yl-{4-[(5H-imidazol-1-yl)-phenyl-methyl]-phenyl}-amine
CID 16039690
Oxazolamine derivative, 5a
CID 57412004
Oxazolamine derivative, 5b
CID 44123836
5-(3-Phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine
CID 71037615
2-(1-Benzhydrylbenzimidazol-2-yl)-1,3-benzoxazole
CID 7109592
5-(3-phenyl-1H-benzimidazol-3-ium-5-yl)-1,3-benzoxazol-2-amine
CID 153279876
5-(1H-benzimidazol-2-yl)-1,3-benzoxazole
CID 123792041
(2S)-N-[(R)-amino-[5-(2-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3-benzoxazol-2-ylamino)-4-oxo-4-[(2S)-2-phenylcyclopentyl]butanamide
CID 146000093
1,3-benzoxazole;2-(trifluoromethyl)-1H-benzimidazole
CID 68149783
3-(1H-benzimidazol-2-ylamino)-N-(1,3-benzoxazol-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 130366033
3-(1H-benzimidazol-2-ylamino)-N-(1,3-benzoxazol-2-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 130366120

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline?
The IUPAC name of 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline (CID 158190381) is 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline.
What is the SMILES notation for 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline?
The canonical SMILES for 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline is C=C1C=Cc2ccccc2N1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCN2.c1ccc2ocnc2c1.
What is the InChIKey of 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline?
The InChIKey is FZRINUFKAPSJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C8H9N.C7H6N2.C7H5NO/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7/h2-7,11H,1H2;1-4,9H,5-6H2;1-5H,(H,8,9);1-5H.
What are the key properties of 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline?
1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline has a molecular weight of 499.62 g/mol, XLogP of 7.68, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzoxazole;2,3-dihydro-1H-indole;2-methylidene-1H-quinoline is sourced from PubChem (CID 158190381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).