6-methyl-1H-benzimidazol-3-ium

C8H9N2+ — CID 58064884

IUPAC6-methyl-1H-benzimidazol-3-ium
SMILESCc1ccc2[nH+]c[nH]c2c1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)/p+1
InChIKeyRWXZXCZBMQPOBF-UHFFFAOYSA-O
MW133.17 g/mol
LogP1.29
Rot. Bonds

About 6-methyl-1H-benzimidazol-3-ium

6-methyl-1H-benzimidazol-3-ium (PubChem CID 58064884) has the molecular formula C8H9N2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is 6-methyl-1H-benzimidazol-3-ium.

Molecular Properties

Compound Name6-methyl-1H-benzimidazol-3-ium
PubChem CID58064884
Molecular FormulaC8H9N2+
Molecular Weight133.17 g/mol
Exact Mass133.08
IUPAC Name6-methyl-1H-benzimidazol-3-ium
SMILESCc1ccc2[nH+]c[nH]c2c1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)/p+1
InChIKeyRWXZXCZBMQPOBF-UHFFFAOYSA-O
XLogP1.29
TPSA29.93 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1H-benzo[f]benzimidazol-3-ium;4-methylbenzenesulfonate
CID 139632146
3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143364643
6-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium
CID 4746504
hydron;6-methyl-1H-indole
CID 174894355
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057
N-(6-methyl-1H-indol-3-yl)methanimine
CID 142032561
dibromolead;6-methyl-1H-benzimidazole
CID 175410470
CID 170793017
CID 170793017
ethane;6-methyl-1H-indazol-3-amine
CID 143489720
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
3,6-dimethyl-9H-carbazole
CID 144942624

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-benzimidazol-3-ium?
The IUPAC name of 6-methyl-1H-benzimidazol-3-ium (CID 58064884) is 6-methyl-1H-benzimidazol-3-ium.
What is the SMILES notation for 6-methyl-1H-benzimidazol-3-ium?
The canonical SMILES for 6-methyl-1H-benzimidazol-3-ium is Cc1ccc2[nH+]c[nH]c2c1.
What is the InChIKey of 6-methyl-1H-benzimidazol-3-ium?
The InChIKey is RWXZXCZBMQPOBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)/p+1.
What are the key properties of 6-methyl-1H-benzimidazol-3-ium?
6-methyl-1H-benzimidazol-3-ium has a molecular weight of 133.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-benzimidazol-3-ium is sourced from PubChem (CID 58064884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).