N-(2-methoxyethyl)-1H-benzimidazol-2-amine

C10H13N3O — CID 16653132

IUPACN-(2-methoxyethyl)-1H-benzimidazol-2-amine
SMILESCOCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-14-7-6-11-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKeyVTUYRTRJDHAFLL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.62
Rot. Bonds4

About N-(2-methoxyethyl)-1H-benzimidazol-2-amine

N-(2-methoxyethyl)-1H-benzimidazol-2-amine (PubChem CID 16653132) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1H-benzimidazol-2-amine
PubChem CID16653132
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(2-methoxyethyl)-1H-benzimidazol-2-amine
SMILESCOCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-14-7-6-11-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKeyVTUYRTRJDHAFLL-UHFFFAOYSA-N
XLogP1.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1H-benzimidazol-2-amine
CID 133410971
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
CID 55023552
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
3-[2-(1H-benzimidazol-2-ylamino)ethoxy]propan-1-ol
CID 178081091
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
CID 133410943

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1H-benzimidazol-2-amine (CID 16653132) is N-(2-methoxyethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1H-benzimidazol-2-amine is COCCNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-1H-benzimidazol-2-amine?
The InChIKey is VTUYRTRJDHAFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-14-7-6-11-10-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7H2,1H3,(H2,11,12,13).
What are the key properties of N-(2-methoxyethyl)-1H-benzimidazol-2-amine?
N-(2-methoxyethyl)-1H-benzimidazol-2-amine has a molecular weight of 191.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 16653132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).