2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole

C16H13ClN4 — CID 135804648

IUPAC2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3n[nH]c4cccc(Cl)c34)[nH]c2cc1C
InChIInChI=1S/C16H13ClN4/c1-8-6-12-13(7-9(8)2)19-16(18-12)15-14-10(17)4-3-5-11(14)20-21-15/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeySGEDBOAJPCXONK-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.38
Rot. Bonds1

About 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole

2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 135804648) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
PubChem CID135804648
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3n[nH]c4cccc(Cl)c34)[nH]c2cc1C
InChIInChI=1S/C16H13ClN4/c1-8-6-12-13(7-9(8)2)19-16(18-12)15-14-10(17)4-3-5-11(14)20-21-15/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeySGEDBOAJPCXONK-UHFFFAOYSA-N
XLogP4.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 56737110
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
CID 162410075
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135900330
2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 135750659
2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535794
N-(2-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 135814964
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961
5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole (CID 135804648) is 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(-c3n[nH]c4cccc(Cl)c34)[nH]c2cc1C.
What is the InChIKey of 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is SGEDBOAJPCXONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c1-8-6-12-13(7-9(8)2)19-16(18-12)15-14-10(17)4-3-5-11(14)20-21-15/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 296.76 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 135804648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).