4-methyl-3a,4-dihydro-1H-benzimidazole

C8H10N2 — CID 134546157

IUPAC4-methyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1C=CC=C2NC=NC21
InChIInChI=1S/C8H10N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-6,8H,1H3,(H,9,10)
InChIKeyNBCSVISVCATQJH-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.08
Rot. Bonds

About 4-methyl-3a,4-dihydro-1H-benzimidazole

4-methyl-3a,4-dihydro-1H-benzimidazole (PubChem CID 134546157) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-methyl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-3a,4-dihydro-1H-benzimidazole
PubChem CID134546157
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-methyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1C=CC=C2NC=NC21
InChIInChI=1S/C8H10N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-6,8H,1H3,(H,9,10)
InChIKeyNBCSVISVCATQJH-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3a,7a-dihydro-1H-benzimidazole
CID 15762978
3a,4-dihydro-1H-benzimidazole
CID 18186079
5,5a,6,9b-tetrahydro-3H-benzo[e]benzimidazole
CID 18435675
6-tert-butyl-3a,7a-dihydro-1H-benzimidazole
CID 59224397
2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole
CID 59585993
5,6-dihydro-3H-benzimidazol-5-amine
CID 67036041
6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
1-Propyl-3a,7a-dihydrobenzimidazol-4-amine
CID 68330714
6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 70333893
3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
CID 70988985
1,3a,4,7-Tetrahydrobenzimidazol-7-ylium bromide
CID 88697461
6-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89093625

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 4-methyl-3a,4-dihydro-1H-benzimidazole (CID 134546157) is 4-methyl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 4-methyl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 4-methyl-3a,4-dihydro-1H-benzimidazole is CC1C=CC=C2NC=NC21.
What is the InChIKey of 4-methyl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is NBCSVISVCATQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-6,8H,1H3,(H,9,10).
What are the key properties of 4-methyl-3a,4-dihydro-1H-benzimidazole?
4-methyl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 134.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 134546157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).