6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C15H16ClN5 — CID 115472628

IUPAC6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCn1c(C2Cc3nc[nH]c3CN2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H16ClN5/c1-2-21-14-5-9(16)3-4-10(14)20-15(21)12-6-11-13(7-17-12)19-8-18-11/h3-5,8,12,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyRUVWYTLBTYQYPA-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.82
Rot. Bonds2

About 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 115472628) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID115472628
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCn1c(C2Cc3nc[nH]c3CN2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H16ClN5/c1-2-21-14-5-9(16)3-4-10(14)20-15(21)12-6-11-13(7-17-12)19-8-18-11/h3-5,8,12,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyRUVWYTLBTYQYPA-UHFFFAOYSA-N
XLogP2.82
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 115472705
4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
CID 113316577
1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
CID 46311065
2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
CID 116682163
6-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115278225
3-ethyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343357
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
CID 113316608
3-(ethylsulfanylmethyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79344641
6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 79342408
6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
CID 46310785
1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 115472770

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 115472628) is 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CCn1c(C2Cc3nc[nH]c3CN2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is RUVWYTLBTYQYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-2-21-14-5-9(16)3-4-10(14)20-15(21)12-6-11-13(7-17-12)19-8-18-11/h3-5,8,12,17H,2,6-7H2,1H3,(H,18,19).
What are the key properties of 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 301.78 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 115472628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).