5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H22ClN5 — CID 156786888

IUPAC5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(-c2ccccc2Cl)nc2c1CC(N1CCc3nc[nH]c3C1)CC2
InChIInChI=1S/C20H22ClN5/c1-25-19-10-13(26-9-8-16-18(11-26)23-12-22-16)6-7-17(19)24-20(25)14-4-2-3-5-15(14)21/h2-5,12-13H,6-11H2,1H3,(H,22,23)
InChIKeyGNVXYDUFOYAWJS-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.38
Rot. Bonds2

About 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 156786888) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID156786888
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(-c2ccccc2Cl)nc2c1CC(N1CCc3nc[nH]c3C1)CC2
InChIInChI=1S/C20H22ClN5/c1-25-19-10-13(26-9-8-16-18(11-26)23-12-22-16)6-7-17(19)24-20(25)14-4-2-3-5-15(14)21/h2-5,12-13H,6-11H2,1H3,(H,22,23)
InChIKeyGNVXYDUFOYAWJS-UHFFFAOYSA-N
XLogP3.38
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786890
8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline
CID 156786845
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-[(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
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
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
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
2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786833
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
5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786781
2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786739
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 156786888) is 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1c(-c2ccccc2Cl)nc2c1CC(N1CCc3nc[nH]c3C1)CC2.
What is the InChIKey of 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is GNVXYDUFOYAWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-25-19-10-13(26-9-8-16-18(11-26)23-12-22-16)6-7-17(19)24-20(25)14-4-2-3-5-15(14)21/h2-5,12-13H,6-11H2,1H3,(H,22,23).
What are the key properties of 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 367.88 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 156786888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).