N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine

C12H17N3O — CID 115865687

IUPACN-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
SMILESCOC(C)(C)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-12(2,16-3)8-13-11-14-9-6-4-5-7-10(9)15-11/h4-7H,8H2,1-3H3,(H2,13,14,15)
InChIKeyVEWNFNVVOHEZND-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.40
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine

N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine (PubChem CID 115865687) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
PubChem CID115865687
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
SMILESCOC(C)(C)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O/c1-12(2,16-3)8-13-11-14-9-6-4-5-7-10(9)15-11/h4-7H,8H2,1-3H3,(H2,13,14,15)
InChIKeyVEWNFNVVOHEZND-UHFFFAOYSA-N
XLogP2.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine
CID 115143934
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine (CID 115865687) is N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine is COC(C)(C)CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine?
The InChIKey is VEWNFNVVOHEZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,16-3)8-13-11-14-9-6-4-5-7-10(9)15-11/h4-7H,8H2,1-3H3,(H2,13,14,15).
What are the key properties of N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine?
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 115865687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).