(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H17Cl2N5 — CID 95869943

IUPAC(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ncc[nH]2)c(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N5/c1-10-2-3-11(15(19)14(10)18)17-16-12(22-9-23-16)4-7-24(17)8-13-20-5-6-21-13/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyOSDGAGCKIUDHKV-QGZVFWFLSA-N
MW362.26 g/mol
LogP3.90
Rot. Bonds3

About (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95869943) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95869943
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ncc[nH]2)c(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N5/c1-10-2-3-11(15(19)14(10)18)17-16-12(22-9-23-16)4-7-24(17)8-13-20-5-6-21-13/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyOSDGAGCKIUDHKV-QGZVFWFLSA-N
XLogP3.90
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95869943) is (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ncc[nH]2)c(Cl)c1Cl.
What is the InChIKey of (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OSDGAGCKIUDHKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c1-10-2-3-11(15(19)14(10)18)17-16-12(22-9-23-16)4-7-24(17)8-13-20-5-6-21-13/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1.
What are the key properties of (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 362.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95869943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).