ethane;4-methyl-5,6-dihydro-1H-benzimidazole

C10H16N2 — CID 143334436

IUPACethane;4-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC.CC1=c2nc[nH]c2=CCC1
InChIInChI=1S/C8H10N2.C2H6/c1-6-3-2-4-7-8(6)10-5-9-7;1-2/h4-5H,2-3H2,1H3,(H,9,10);1-2H3
InChIKeyUFQCPOYEBJUEAE-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.18
Rot. Bonds

About ethane;4-methyl-5,6-dihydro-1H-benzimidazole

ethane;4-methyl-5,6-dihydro-1H-benzimidazole (PubChem CID 143334436) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;4-methyl-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Nameethane;4-methyl-5,6-dihydro-1H-benzimidazole
PubChem CID143334436
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameethane;4-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC.CC1=c2nc[nH]c2=CCC1
InChIInChI=1S/C8H10N2.C2H6/c1-6-3-2-4-7-8(6)10-5-9-7;1-2/h4-5H,2-3H2,1H3,(H,9,10);1-2H3
InChIKeyUFQCPOYEBJUEAE-UHFFFAOYSA-N
XLogP1.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dihydro-1H-benzimidazole
CID 68269788
6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
CID 70866026
6-ethyl-5,6-dihydro-1H-benzimidazole
CID 89554317
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
(6E)-6-hexan-2-ylidene-1H-pyrimidine
CID 130242037
4-methyl-5,6-dihydro-1H-benzimidazole
CID 130254986
6-methyl-3a,4-dihydro-1H-benzimidazole
CID 134239539
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
CID 134444617
(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole
CID 137427544
(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole
CID 137427602

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5,6-dihydro-1H-benzimidazole?
The IUPAC name of ethane;4-methyl-5,6-dihydro-1H-benzimidazole (CID 143334436) is ethane;4-methyl-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for ethane;4-methyl-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for ethane;4-methyl-5,6-dihydro-1H-benzimidazole is CC.CC1=c2nc[nH]c2=CCC1.
What is the InChIKey of ethane;4-methyl-5,6-dihydro-1H-benzimidazole?
The InChIKey is UFQCPOYEBJUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C2H6/c1-6-3-2-4-7-8(6)10-5-9-7;1-2/h4-5H,2-3H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-methyl-5,6-dihydro-1H-benzimidazole?
ethane;4-methyl-5,6-dihydro-1H-benzimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 143334436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).