3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one

C16H14N4O — CID 58847286

IUPAC3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N4O/c21-16-15(10-5-1-2-6-11(10)20-16)17-9-14-18-12-7-3-4-8-13(12)19-14/h1-8,15,17H,9H2,(H,18,19)(H,20,21)
InChIKeyLFWBPWSFWCTFCU-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.35
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one

3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 58847286) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID58847286
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N4O/c21-16-15(10-5-1-2-6-11(10)20-16)17-9-14-18-12-7-3-4-8-13(12)19-14/h1-8,15,17H,9H2,(H,18,19)(H,20,21)
InChIKeyLFWBPWSFWCTFCU-UHFFFAOYSA-N
XLogP2.35
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one (CID 58847286) is 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1NCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is LFWBPWSFWCTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16-15(10-5-1-2-6-11(10)20-16)17-9-14-18-12-7-3-4-8-13(12)19-14/h1-8,15,17H,9H2,(H,18,19)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one?
3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 58847286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).