N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

C19H22ClN3O — CID 71873019

IUPACN-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCc1cn2c(n1)C(CNCC1=Cc3cc(Cl)ccc3OC1)CCC2
InChIInChI=1S/C19H22ClN3O/c1-13-11-23-6-2-3-15(19(23)22-13)10-21-9-14-7-16-8-17(20)4-5-18(16)24-12-14/h4-5,7-8,11,15,21H,2-3,6,9-10,12H2,1H3
InChIKeyFJGQVNIDSDZADH-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.79
Rot. Bonds4

About N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine

N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (PubChem CID 71873019) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
PubChem CID71873019
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCc1cn2c(n1)C(CNCC1=Cc3cc(Cl)ccc3OC1)CCC2
InChIInChI=1S/C19H22ClN3O/c1-13-11-23-6-2-3-15(19(23)22-13)10-21-9-14-7-16-8-17(20)4-5-18(16)24-12-14/h4-5,7-8,11,15,21H,2-3,6,9-10,12H2,1H3
InChIKeyFJGQVNIDSDZADH-UHFFFAOYSA-N
XLogP3.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 700198
4-((1H-imidazol-4-yl)methyl)-1-(3-(3-chlorophenoxy)propyl)piperidine
CID 44406392
N-[[2-(5-chloro-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride
CID 45260681
N-(2H-chromen-3-ylmethyl)-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71873022
5-(6-chloro-2H-chromen-4-yl)-1H-imidazole
CID 24739461
5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
CID 169087975
US10807993, Example 32
CID 155921757
1-[1-(2-Butoxy-5-chloro-phenyl)vinyl]imidazole
CID 3007449
1-[1-(5-Chloro-2-phenylmethoxyphenyl)prop-1-enyl]imidazole
CID 3007494
1-[1-(5-Chloro-2-propoxy-phenyl)-2-methyl-prop-1-enyl]imidazole
CID 3007517
1-[1-(5-Chloro-2-phenylmethoxyphenyl)but-1-enyl]imidazole
CID 3007528
1-[(Z)-1-(2-benzyloxy-5-chloro-phenyl)prop-1-enyl]imidazole
CID 6479454

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The IUPAC name of N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (CID 71873019) is N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.
What is the SMILES notation for N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The canonical SMILES for N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is Cc1cn2c(n1)C(CNCC1=Cc3cc(Cl)ccc3OC1)CCC2.
What is the InChIKey of N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The InChIKey is FJGQVNIDSDZADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-13-11-23-6-2-3-15(19(23)22-13)10-21-9-14-7-16-8-17(20)4-5-18(16)24-12-14/h4-5,7-8,11,15,21H,2-3,6,9-10,12H2,1H3.
What are the key properties of N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine has a molecular weight of 343.86 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 71873019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).