N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C20H22N4O — CID 84589688

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1ccnc(-n3ccnc3)c1)CC2
InChIInChI=1S/C20H22N4O/c1-25-19-5-3-16-2-4-18(11-17(16)12-19)23-13-15-6-7-22-20(10-15)24-9-8-21-14-24/h3,5-10,12,14,18,23H,2,4,11,13H2,1H3
InChIKeyWNXFHCICRMQOFD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.92
Rot. Bonds5

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 84589688) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID84589688
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1ccnc(-n3ccnc3)c1)CC2
InChIInChI=1S/C20H22N4O/c1-25-19-5-3-16-2-4-18(11-17(16)12-19)23-13-15-6-7-22-20(10-15)24-9-8-21-14-24/h3,5-10,12,14,18,23H,2,4,11,13H2,1H3
InChIKeyWNXFHCICRMQOFD-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 84589688) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCc1ccnc(-n3ccnc3)c1)CC2.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WNXFHCICRMQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-19-5-3-16-2-4-18(11-17(16)12-19)23-13-15-6-7-22-20(10-15)24-9-8-21-14-24/h3,5-10,12,14,18,23H,2,4,11,13H2,1H3.
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 334.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 84589688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).