butane;2-methyl-3a,7a-dihydro-1H-benzimidazole

C12H20N2 — CID 143637445

IUPACbutane;2-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=NC2C=CC=CC2N1.CCCC
InChIInChI=1S/C8H10N2.C4H10/c1-6-9-7-4-2-3-5-8(7)10-6;1-3-4-2/h2-5,7-8H,1H3,(H,9,10);3-4H2,1-2H3
InChIKeyKXPMACRCSSFFIC-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.68
Rot. Bonds1

About butane;2-methyl-3a,7a-dihydro-1H-benzimidazole

butane;2-methyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 143637445) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is butane;2-methyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Namebutane;2-methyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID143637445
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Namebutane;2-methyl-3a,7a-dihydro-1H-benzimidazole
SMILESCC1=NC2C=CC=CC2N1.CCCC
InChIInChI=1S/C8H10N2.C4H10/c1-6-9-7-4-2-3-5-8(7)10-6;1-3-4-2/h2-5,7-8H,1H3,(H,9,10);3-4H2,1-2H3
InChIKeyKXPMACRCSSFFIC-UHFFFAOYSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-fluoro-3a,7a-dihydro-1H-benzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 71027331
6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 144315719
6-(difluoromethyl)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144415080
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
3a,7a-dihydro-1H-benzimidazole
CID 15762978
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 58755520
2-(chloromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 58770067

Frequently Asked Questions

What is the IUPAC name of butane;2-methyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of butane;2-methyl-3a,7a-dihydro-1H-benzimidazole (CID 143637445) is butane;2-methyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for butane;2-methyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for butane;2-methyl-3a,7a-dihydro-1H-benzimidazole is CC1=NC2C=CC=CC2N1.CCCC.
What is the InChIKey of butane;2-methyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is KXPMACRCSSFFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C4H10/c1-6-9-7-4-2-3-5-8(7)10-6;1-3-4-2/h2-5,7-8H,1H3,(H,9,10);3-4H2,1-2H3.
What are the key properties of butane;2-methyl-3a,7a-dihydro-1H-benzimidazole?
butane;2-methyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 192.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 143637445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).