5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole

C13H20N2 — CID 176693931

IUPAC5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole
SMILESCC(C)c1cc2c(cc1C(C)C)NCN2
InChIInChI=1S/C13H20N2/c1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4/h5-6,8-9,14-15H,7H2,1-4H3
InChIKeyKTCGGDUBJOGOFJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.73
Rot. Bonds2

About 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole

5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole (PubChem CID 176693931) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole
PubChem CID176693931
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole
SMILESCC(C)c1cc2c(cc1C(C)C)NCN2
InChIInChI=1S/C13H20N2/c1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4/h5-6,8-9,14-15H,7H2,1-4H3
InChIKeyKTCGGDUBJOGOFJ-UHFFFAOYSA-N
XLogP3.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene
CID 177088440
4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen
CID 145358907
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
5,6-di(propan-2-yl)-2H-benzotriazole
CID 118098380
6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodithiine
CID 59480282
4,6-di(propan-2-yl)-2,3-dihydro-1H-indole
CID 14344795
2,3-dihydro-1H-benzimidazol-5-ol
CID 141046300
6-methoxy-8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 84675253
6-tert-butyl-2,3-dihydro-1H-imidazo[4,5-c]pyridine
CID 138655061
4,5-di(propan-2-yl)benzene-1,2-dicarbonitrile
CID 122607615
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
3-[3,4-di(propan-2-yl)phenyl]azetidine
CID 176820214

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole (CID 176693931) is 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole is CC(C)c1cc2c(cc1C(C)C)NCN2.
What is the InChIKey of 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole?
The InChIKey is KTCGGDUBJOGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4/h5-6,8-9,14-15H,7H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole?
5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole has a molecular weight of 204.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 176693931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).