2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole

C15H17N3 — CID 142166123

IUPAC2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CCN2.c1ccc2c(c1)NCN2
InChIInChI=1S/C8H9N.C7H8N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h1-4,9H,5-6H2;1-4,8-9H,5H2
InChIKeyWQRZFGNBEUTQME-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.14
Rot. Bonds

About 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole

2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole (PubChem CID 142166123) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
PubChem CID142166123
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CCN2.c1ccc2c(c1)NCN2
InChIInChI=1S/C8H9N.C7H8N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h1-4,9H,5-6H2;1-4,8-9H,5H2
InChIKeyWQRZFGNBEUTQME-UHFFFAOYSA-N
XLogP3.14
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3-dihydro-1H-indole;ethanamine
CID 23296774
1H-azepine;2,3-dihydro-1H-indole
CID 159350025
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
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CID 19771761
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
2,3-dihydro-1H-indole;methyl acetate
CID 160533023
2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole
CID 159210756
2,3-dihydro-1H-indole;indolizine
CID 161076470
2,3-dihydro-1H-indole;quinoline
CID 174869582

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole?
The IUPAC name of 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole (CID 142166123) is 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole.
What is the SMILES notation for 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole?
The canonical SMILES for 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole is c1ccc2c(c1)CCN2.c1ccc2c(c1)NCN2.
What is the InChIKey of 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole?
The InChIKey is WQRZFGNBEUTQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C7H8N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h1-4,9H,5-6H2;1-4,8-9H,5H2.
What are the key properties of 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole?
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole is sourced from PubChem (CID 142166123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).