5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine

C20H22N4O — CID 138006364

IUPAC5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)CCC2NCc1cccnc1-n1ccnc1C
InChIInChI=1S/C20H22N4O/c1-14-21-10-11-24(14)20-16(4-3-9-22-20)13-23-19-8-5-15-12-17(25-2)6-7-18(15)19/h3-4,6-7,9-12,19,23H,5,8,13H2,1-2H3
InChIKeyVYFILQMGRSBFQP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.36
Rot. Bonds5

About 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine

5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 138006364) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID138006364
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)CCC2NCc1cccnc1-n1ccnc1C
InChIInChI=1S/C20H22N4O/c1-14-21-10-11-24(14)20-16(4-3-9-22-20)13-23-19-8-5-15-12-17(25-2)6-7-18(15)19/h3-4,6-7,9-12,19,23H,5,8,13H2,1-2H3
InChIKeyVYFILQMGRSBFQP-UHFFFAOYSA-N
XLogP3.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 138006364) is 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)CCC2NCc1cccnc1-n1ccnc1C.
What is the InChIKey of 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VYFILQMGRSBFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-21-10-11-24(14)20-16(4-3-9-22-20)13-23-19-8-5-15-12-17(25-2)6-7-18(15)19/h3-4,6-7,9-12,19,23H,5,8,13H2,1-2H3.
What are the key properties of 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine?
5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 334.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 138006364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).