8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline

C23H23Cl2N3 — CID 156786845

IUPAC8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline
SMILESCn1c(-c2ccccc2Cl)nc2c1C[C@@H](N1CCc3cccc(Cl)c3C1)CC2
InChIInChI=1S/C23H23Cl2N3/c1-27-22-13-16(28-12-11-15-5-4-8-20(25)18(15)14-28)9-10-21(22)26-23(27)17-6-2-3-7-19(17)24/h2-8,16H,9-14H2,1H3/t16-/m0/s1
InChIKeyLEAGTNBRAAHLPM-INIZCTEOSA-N
MW412.36 g/mol
LogP5.31
Rot. Bonds2

About 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline

8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 156786845) has the molecular formula C23H23Cl2N3 and a molecular weight of 412.36 g/mol. Its IUPAC name is 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID156786845
Molecular FormulaC23H23Cl2N3
Molecular Weight412.36 g/mol
Exact Mass411.13
IUPAC Name8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline
SMILESCn1c(-c2ccccc2Cl)nc2c1C[C@@H](N1CCc3cccc(Cl)c3C1)CC2
InChIInChI=1S/C23H23Cl2N3/c1-27-22-13-16(28-12-11-15-5-4-8-20(25)18(15)14-28)9-10-21(22)26-23(27)17-6-2-3-7-19(17)24/h2-8,16H,9-14H2,1H3/t16-/m0/s1
InChIKeyLEAGTNBRAAHLPM-INIZCTEOSA-N
XLogP5.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-5-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156786922
5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786888
5-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786890
methyl 2-[2-(2-chlorophenyl)-5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl]acetate
CID 156786744
1-[[2-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-methoxypropan-2-ol
CID 156786765
5-[(2S)-7-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156786867
2-(2-chlorophenyl)-5-[8-(4-methylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786755
5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-[2-chloro-4-(1,2,4-triazol-1-yl)phenyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156786859
2-[[2-(2-chlorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-4-fluoro-1,3-benzoxazole
CID 169007842
CID 163687031
CID 163687031
[2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol
CID 162695086
1,3,5-trimethyl-4-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole
CID 25070560

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline (CID 156786845) is 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline is Cn1c(-c2ccccc2Cl)nc2c1C[C@@H](N1CCc3cccc(Cl)c3C1)CC2.
What is the InChIKey of 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is LEAGTNBRAAHLPM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23Cl2N3/c1-27-22-13-16(28-12-11-15-5-4-8-20(25)18(15)14-28)9-10-21(22)26-23(27)17-6-2-3-7-19(17)24/h2-8,16H,9-14H2,1H3/t16-/m0/s1.
What are the key properties of 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline?
8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 412.36 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 156786845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).