1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine

C14H21N3O — CID 113393510

IUPAC1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2c(OC(C)C)cccc21
InChIInChI=1S/C14H21N3O/c1-9(2)8-17-11-6-5-7-12(18-10(3)4)13(11)16-14(17)15/h5-7,9-10H,8H2,1-4H3,(H2,15,16)
InChIKeyNWWXSIATVKCSTP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine

1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine (PubChem CID 113393510) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
PubChem CID113393510
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2c(OC(C)C)cccc21
InChIInChI=1S/C14H21N3O/c1-9(2)8-17-11-6-5-7-12(18-10(3)4)13(11)16-14(17)15/h5-7,9-10H,8H2,1-4H3,(H2,15,16)
InChIKeyNWWXSIATVKCSTP-UHFFFAOYSA-N
XLogP3.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
CID 106406007
1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 106406074
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240102
1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
CID 104829021
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
2-(1-chloroethyl)-4-ethoxy-1-(2-methylpropyl)benzimidazole
CID 113393086
4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
CID 114041695
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
CID 113393056
[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite
CID 153402733
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
2-(chloromethyl)-1-cyclobutyl-4-propan-2-yloxybenzimidazole
CID 113393530

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine?
The IUPAC name of 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine (CID 113393510) is 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine is CC(C)Cn1c(N)nc2c(OC(C)C)cccc21.
What is the InChIKey of 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine?
The InChIKey is NWWXSIATVKCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(2)8-17-11-6-5-7-12(18-10(3)4)13(11)16-14(17)15/h5-7,9-10H,8H2,1-4H3,(H2,15,16).
What are the key properties of 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine?
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine has a molecular weight of 247.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine is sourced from PubChem (CID 113393510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).