N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine

C16H21N3O — CID 133410411

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine
SMILESCN(c1nc2ccccc2[nH]1)C1C2CCOC2C1(C)C
InChIInChI=1S/C16H21N3O/c1-16(2)13(10-8-9-20-14(10)16)19(3)15-17-11-6-4-5-7-12(11)18-15/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,18)
InChIKeyNRHYAHDJENJLNF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.81
Rot. Bonds2

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine (PubChem CID 133410411) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine
PubChem CID133410411
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine
SMILESCN(c1nc2ccccc2[nH]1)C1C2CCOC2C1(C)C
InChIInChI=1S/C16H21N3O/c1-16(2)13(10-8-9-20-14(10)16)19(3)15-17-11-6-4-5-7-12(11)18-15/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,18)
InChIKeyNRHYAHDJENJLNF-UHFFFAOYSA-N
XLogP2.81
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine with MolForge

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Related Compounds

N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
(1R,5S,6R)-N-[(3,6-dichloro-2-pyridinyl)methyl]-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 124856081
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 95635245
N-(2-cyclopentylethyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143924
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N,4-dimethylbenzenesulfonamide
CID 129427794
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 102561357
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine
CID 71862376
N-methyl-N-(4-nitrophenyl)-1H-benzimidazol-2-amine
CID 58577716
N-methyl-N-(3-methylphenyl)-1H-benzimidazol-2-amine
CID 115143817

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine (CID 133410411) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine is CN(c1nc2ccccc2[nH]1)C1C2CCOC2C1(C)C.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is NRHYAHDJENJLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2)13(10-8-9-20-14(10)16)19(3)15-17-11-6-4-5-7-12(11)18-15/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).