1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine

C18H21N5 — CID 166234216

IUPAC1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cn3c(n2)CCCC3)c2ncc[nH]2)cc1
InChIInChI=1S/C18H21N5/c1-2-6-14(7-3-1)17(18-19-9-10-20-18)21-12-15-13-23-11-5-4-8-16(23)22-15/h1-3,6-7,9-10,13,17,21H,4-5,8,11-12H2,(H,19,20)
InChIKeyPMPABNWCLQXAJF-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.82
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine

1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine (PubChem CID 166234216) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
PubChem CID166234216
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cn3c(n2)CCCC3)c2ncc[nH]2)cc1
InChIInChI=1S/C18H21N5/c1-2-6-14(7-3-1)17(18-19-9-10-20-18)21-12-15-13-23-11-5-4-8-16(23)22-15/h1-3,6-7,9-10,13,17,21H,4-5,8,11-12H2,(H,19,20)
InChIKeyPMPABNWCLQXAJF-UHFFFAOYSA-N
XLogP2.82
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine (CID 166234216) is 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine is c1ccc(C(NCc2cn3c(n2)CCCC3)c2ncc[nH]2)cc1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
The InChIKey is PMPABNWCLQXAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-6-14(7-3-1)17(18-19-9-10-20-18)21-12-15-13-23-11-5-4-8-16(23)22-15/h1-3,6-7,9-10,13,17,21H,4-5,8,11-12H2,(H,19,20).
What are the key properties of 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine?
1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 166234216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).