(6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

C18H22ClN5 — CID 97112755

IUPAC(6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1cn2c(n1)CC[C@@H](N[C@@H](C)c1nc3cc(Cl)ccc3n1C)C2
InChIInChI=1S/C18H22ClN5/c1-11-9-24-10-14(5-7-17(24)20-11)21-12(2)18-22-15-8-13(19)4-6-16(15)23(18)3/h4,6,8-9,12,14,21H,5,7,10H2,1-3H3/t12-,14+/m0/s1
InChIKeyPXSPASCOFRLKJU-GXTWGEPZSA-N
MW343.86 g/mol
LogP3.40
Rot. Bonds3

About (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

(6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (PubChem CID 97112755) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
PubChem CID97112755
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC Name(6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1cn2c(n1)CC[C@@H](N[C@@H](C)c1nc3cc(Cl)ccc3n1C)C2
InChIInChI=1S/C18H22ClN5/c1-11-9-24-10-14(5-7-17(24)20-11)21-12(2)18-22-15-8-13(19)4-6-16(15)23(18)3/h4,6,8-9,12,14,21H,5,7,10H2,1-3H3/t12-,14+/m0/s1
InChIKeyPXSPASCOFRLKJU-GXTWGEPZSA-N
XLogP3.40
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (CID 97112755) is (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is Cc1cn2c(n1)CC[C@@H](N[C@@H](C)c1nc3cc(Cl)ccc3n1C)C2.
What is the InChIKey of (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The InChIKey is PXSPASCOFRLKJU-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H22ClN5/c1-11-9-24-10-14(5-7-17(24)20-11)21-12(2)18-22-15-8-13(19)4-6-16(15)23(18)3/h4,6,8-9,12,14,21H,5,7,10H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
(6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine has a molecular weight of 343.86 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(1S)-1-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 97112755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).