4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen

C11H20N2 — CID 145358907

IUPAC4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen
SMILESCc1ccc(C(C)C)c2c1NCN2.[H][H].[H][H]
InChIInChI=1S/C11H16N2.2H2/c1-7(2)9-5-4-8(3)10-11(9)13-6-12-10;;/h4-5,7,12-13H,6H2,1-3H3;2*1H
InChIKeyNXVIANFUEPBYLV-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.41
Rot. Bonds1

About 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen

4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen (PubChem CID 145358907) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen
PubChem CID145358907
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen
SMILESCc1ccc(C(C)C)c2c1NCN2.[H][H].[H][H]
InChIInChI=1S/C11H16N2.2H2/c1-7(2)9-5-4-8(3)10-11(9)13-6-12-10;;/h4-5,7,12-13H,6H2,1-3H3;2*1H
InChIKeyNXVIANFUEPBYLV-UHFFFAOYSA-N
XLogP3.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 161089123
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole
CID 176693931
ethane;4-methyl-7-propan-2-yl-2,3-dihydroisoindol-1-one
CID 145358935
ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144672016
8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 12621940
1,6-dimethyl-4-propan-2-ylnaphthalene
CID 10225
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
(2,3-dimethyl-6-propan-2-ylphenyl)phosphane
CID 135300466
2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen
CID 145358889
8-methyl-5-propan-2-yl-1,4-benzodioxine
CID 145358856
ethane;1-methyl-4-propan-2-ylanthracene
CID 144783014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen?
The IUPAC name of 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen (CID 145358907) is 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen.
What is the SMILES notation for 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen?
The canonical SMILES for 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen is Cc1ccc(C(C)C)c2c1NCN2.[H][H].[H][H].
What is the InChIKey of 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen?
The InChIKey is NXVIANFUEPBYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.2H2/c1-7(2)9-5-4-8(3)10-11(9)13-6-12-10;;/h4-5,7,12-13H,6H2,1-3H3;2*1H.
What are the key properties of 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen?
4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen has a molecular weight of 180.30 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen is sourced from PubChem (CID 145358907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).