1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine

C20H28N4O — CID 154749153

IUPAC1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
SMILESCc1cn2c(n1)C(CNCc1ccc(N3CCOCC3)cc1)CCC2
InChIInChI=1S/C20H28N4O/c1-16-15-24-8-2-3-18(20(24)22-16)14-21-13-17-4-6-19(7-5-17)23-9-11-25-12-10-23/h4-7,15,18,21H,2-3,8-14H2,1H3
InChIKeyPLRCNNZKGDPCHB-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.70
Rot. Bonds5

About 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine

1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine (PubChem CID 154749153) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
PubChem CID154749153
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
SMILESCc1cn2c(n1)C(CNCc1ccc(N3CCOCC3)cc1)CCC2
InChIInChI=1S/C20H28N4O/c1-16-15-24-8-2-3-18(20(24)22-16)14-21-13-17-4-6-19(7-5-17)23-9-11-25-12-10-23/h4-7,15,18,21H,2-3,8-14H2,1H3
InChIKeyPLRCNNZKGDPCHB-UHFFFAOYSA-N
XLogP2.70
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine (CID 154749153) is 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine is Cc1cn2c(n1)C(CNCc1ccc(N3CCOCC3)cc1)CCC2.
What is the InChIKey of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
The InChIKey is PLRCNNZKGDPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-15-24-8-2-3-18(20(24)22-16)14-21-13-17-4-6-19(7-5-17)23-9-11-25-12-10-23/h4-7,15,18,21H,2-3,8-14H2,1H3.
What are the key properties of 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine has a molecular weight of 340.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine is sourced from PubChem (CID 154749153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).