1-(3-methylbutyl)-5,6-dihydrobenzimidazole

C12H18N2 — CID 175624984

IUPAC1-(3-methylbutyl)-5,6-dihydrobenzimidazole
SMILESCC(C)CCn1cnc2c1=CCCC=2
InChIInChI=1S/C12H18N2/c1-10(2)7-8-14-9-13-11-5-3-4-6-12(11)14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUXIWVVTYDINWFV-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.28
Rot. Bonds3

About 1-(3-methylbutyl)-5,6-dihydrobenzimidazole

1-(3-methylbutyl)-5,6-dihydrobenzimidazole (PubChem CID 175624984) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-methylbutyl)-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name1-(3-methylbutyl)-5,6-dihydrobenzimidazole
PubChem CID175624984
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3-methylbutyl)-5,6-dihydrobenzimidazole
SMILESCC(C)CCn1cnc2c1=CCCC=2
InChIInChI=1S/C12H18N2/c1-10(2)7-8-14-9-13-11-5-3-4-6-12(11)14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUXIWVVTYDINWFV-UHFFFAOYSA-N
XLogP1.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-5,6-dihydrobenzimidazole?
The IUPAC name of 1-(3-methylbutyl)-5,6-dihydrobenzimidazole (CID 175624984) is 1-(3-methylbutyl)-5,6-dihydrobenzimidazole.
What is the SMILES notation for 1-(3-methylbutyl)-5,6-dihydrobenzimidazole?
The canonical SMILES for 1-(3-methylbutyl)-5,6-dihydrobenzimidazole is CC(C)CCn1cnc2c1=CCCC=2.
What is the InChIKey of 1-(3-methylbutyl)-5,6-dihydrobenzimidazole?
The InChIKey is UXIWVVTYDINWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(2)7-8-14-9-13-11-5-3-4-6-12(11)14/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-5,6-dihydrobenzimidazole?
1-(3-methylbutyl)-5,6-dihydrobenzimidazole has a molecular weight of 190.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-5,6-dihydrobenzimidazole is sourced from PubChem (CID 175624984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).