N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine

C14H21N3O — CID 104624011

IUPACN-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
SMILESCOCCC(C)(C)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-14(2,8-9-18-3)10-15-13-16-11-6-4-5-7-12(11)17-13/h4-7H,8-10H2,1-3H3,(H2,15,16,17)
InChIKeySMWFSTGFEHDBDD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.04
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine

N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine (PubChem CID 104624011) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
PubChem CID104624011
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
SMILESCOCCC(C)(C)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-14(2,8-9-18-3)10-15-13-16-11-6-4-5-7-12(11)17-13/h4-7H,8-10H2,1-3H3,(H2,15,16,17)
InChIKeySMWFSTGFEHDBDD-UHFFFAOYSA-N
XLogP3.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
CID 133410943
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029
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-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1H-benzimidazol-2-amine
CID 133410971

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine (CID 104624011) is N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine is COCCC(C)(C)CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine?
The InChIKey is SMWFSTGFEHDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,8-9-18-3)10-15-13-16-11-6-4-5-7-12(11)17-13/h4-7H,8-10H2,1-3H3,(H2,15,16,17).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine?
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine has a molecular weight of 247.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 104624011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).