1-methyl-5,6-dihydrobenzimidazole

C8H10N2 — CID 142804359

IUPAC1-methyl-5,6-dihydrobenzimidazole
SMILESCn1cnc2c1=CCCC=2
InChIInChI=1S/C8H10N2/c1-10-6-9-7-4-2-3-5-8(7)10/h4-6H,2-3H2,1H3
InChIKeyAYXRXZQZIGWQTE-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.23
Rot. Bonds

About 1-methyl-5,6-dihydrobenzimidazole

1-methyl-5,6-dihydrobenzimidazole (PubChem CID 142804359) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-methyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-5,6-dihydrobenzimidazole
PubChem CID142804359
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-methyl-5,6-dihydrobenzimidazole
SMILESCn1cnc2c1=CCCC=2
InChIInChI=1S/C8H10N2/c1-10-6-9-7-4-2-3-5-8(7)10/h4-6H,2-3H2,1H3
InChIKeyAYXRXZQZIGWQTE-UHFFFAOYSA-N
XLogP-0.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159779
1-Methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159780
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
3,7-Dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
CID 59708818
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
5,6-dihydro-1H-benzimidazole
CID 68269788
1,6-Dimethyl-3a,4-dihydrobenzimidazole
CID 68289396
6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
5,6-Dichloro-1-methyl-5,6-dihydrobenzimidazole
CID 89347396
1,8a-Dihydroimidazo[1,5-a]pyridine;ethane
CID 90971508
2,4-Dimethyl-6,7-dihydro-1,2,4-benzotriazin-2-ium-1-ide;ethane
CID 91199534
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydrobenzimidazole?
The IUPAC name of 1-methyl-5,6-dihydrobenzimidazole (CID 142804359) is 1-methyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 1-methyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 1-methyl-5,6-dihydrobenzimidazole is Cn1cnc2c1=CCCC=2.
What is the InChIKey of 1-methyl-5,6-dihydrobenzimidazole?
The InChIKey is AYXRXZQZIGWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-6-9-7-4-2-3-5-8(7)10/h4-6H,2-3H2,1H3.
What are the key properties of 1-methyl-5,6-dihydrobenzimidazole?
1-methyl-5,6-dihydrobenzimidazole has a molecular weight of 134.18 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 142804359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).