4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole

C16H15N3O — CID 175786397

IUPAC4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
SMILESCOc1ccc(-c2cccc3c2CCN3)c2nc[nH]c12
InChIInChI=1S/C16H15N3O/c1-20-14-6-5-12(15-16(14)19-9-18-15)10-3-2-4-13-11(10)7-8-17-13/h2-6,9,17H,7-8H2,1H3,(H,18,19)
InChIKeyCZHGEVGLQSIDHD-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.21
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole

4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole (PubChem CID 175786397) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
PubChem CID175786397
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
SMILESCOc1ccc(-c2cccc3c2CCN3)c2nc[nH]c12
InChIInChI=1S/C16H15N3O/c1-20-14-6-5-12(15-16(14)19-9-18-15)10-3-2-4-13-11(10)7-8-17-13/h2-6,9,17H,7-8H2,1H3,(H,18,19)
InChIKeyCZHGEVGLQSIDHD-UHFFFAOYSA-N
XLogP3.21
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole?
The IUPAC name of 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole (CID 175786397) is 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole is COc1ccc(-c2cccc3c2CCN3)c2nc[nH]c12.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole?
The InChIKey is CZHGEVGLQSIDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-6-5-12(15-16(14)19-9-18-15)10-3-2-4-13-11(10)7-8-17-13/h2-6,9,17H,7-8H2,1H3,(H,18,19).
What are the key properties of 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole?
4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole has a molecular weight of 265.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole is sourced from PubChem (CID 175786397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).