1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

C23H21N3O — CID 91195441

IUPAC1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccccc2C1Cc1ccc(Oc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H21N3O/c24-21-12-16-3-1-2-4-19(16)20(21)11-15-5-7-17(8-6-15)27-18-9-10-22-23(13-18)26-14-25-22/h1-10,13-14,20-21H,11-12,24H2,(H,25,26)
InChIKeyMKEHKMPZHWPYJN-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.56
Rot. Bonds4

About 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 91195441) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID91195441
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccccc2C1Cc1ccc(Oc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H21N3O/c24-21-12-16-3-1-2-4-19(16)20(21)11-15-5-7-17(8-6-15)27-18-9-10-22-23(13-18)26-14-25-22/h1-10,13-14,20-21H,11-12,24H2,(H,25,26)
InChIKeyMKEHKMPZHWPYJN-UHFFFAOYSA-N
XLogP4.56
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 91195441) is 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is NC1Cc2ccccc2C1Cc1ccc(Oc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MKEHKMPZHWPYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c24-21-12-16-3-1-2-4-19(16)20(21)11-15-5-7-17(8-6-15)27-18-9-10-22-23(13-18)26-14-25-22/h1-10,13-14,20-21H,11-12,24H2,(H,25,26).
What are the key properties of 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 355.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 91195441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).