1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one

C27H33N5O — CID 142473212

IUPAC1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one
SMILESCC.CC.CN1C(=O)Cc2ccccc21.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1
InChIInChI=1S/C9H9NO.2C7H6N2.2C2H6/c1-10-8-5-3-2-4-7(8)6-9(10)11;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2/h2-5H,6H2,1H3;1-6H;1-5H,(H,8,9);2*1-2H3
InChIKeyFPVGQSMLWZKGCV-UHFFFAOYSA-N
MW443.60 g/mol
LogP6.16
Rot. Bonds

About 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one

1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one (PubChem CID 142473212) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one
PubChem CID142473212
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one
SMILESCC.CC.CN1C(=O)Cc2ccccc21.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1
InChIInChI=1S/C9H9NO.2C7H6N2.2C2H6/c1-10-8-5-3-2-4-7(8)6-9(10)11;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2/h2-5H,6H2,1H3;1-6H;1-5H,(H,8,9);2*1-2H3
InChIKeyFPVGQSMLWZKGCV-UHFFFAOYSA-N
XLogP6.16
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
1H-benzimidazole;imidazo[1,2-a]pyridine;bis(1H-imidazole);hexadecakis(2-methylpropane);1,3-oxazole;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
CID 163562549
bis(1H-benzimidazole);hydrate
CID 23293238
bis(1H-benzimidazole);hydrochloride
CID 163717509
disilver;1H-benzimidazole
CID 21437015
1H-benzimidazole;manganese
CID 158140840
1H-benzimidazole;zinc
CID 162235320
1H-benzimidazole;cyclopropene
CID 175111337
carbanide;ethane;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;bis(yttrium)
CID 159110066
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine
CID 159128261
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795482

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one?
The IUPAC name of 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one (CID 142473212) is 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one.
What is the SMILES notation for 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one?
The canonical SMILES for 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one is CC.CC.CN1C(=O)Cc2ccccc21.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.
What is the InChIKey of 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one?
The InChIKey is FPVGQSMLWZKGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.2C7H6N2.2C2H6/c1-10-8-5-3-2-4-7(8)6-9(10)11;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*1-2/h2-5H,6H2,1H3;1-6H;1-5H,(H,8,9);2*1-2H3.
What are the key properties of 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one?
1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one has a molecular weight of 443.60 g/mol, XLogP of 6.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one is sourced from PubChem (CID 142473212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).