2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine

C10H13N3O — CID 173196682

IUPAC2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
SMILESCOc1c(CCN)ccc2[nH]cnc12
InChIInChI=1S/C10H13N3O/c1-14-10-7(4-5-11)2-3-8-9(10)13-6-12-8/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyDOIOCNDAQMQTRY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.07
Rot. Bonds3

About 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine

2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine (PubChem CID 173196682) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
PubChem CID173196682
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
SMILESCOc1c(CCN)ccc2[nH]cnc12
InChIInChI=1S/C10H13N3O/c1-14-10-7(4-5-11)2-3-8-9(10)13-6-12-8/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyDOIOCNDAQMQTRY-UHFFFAOYSA-N
XLogP1.07
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethoxy-1H-benzimidazole
CID 54423692
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
5-(chloromethyl)-1H-benzimidazol-4-amine
CID 130970762
8-(2-aminoethyl)-3H-quinazolin-4-one
CID 174220949
4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298510
4-(4-methoxy-1,3-benzothiazol-5-yl)butan-1-amine
CID 96590526
2-(5-fluoro-1H-benzimidazol-4-yl)propan-1-amine
CID 143985988
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine (CID 173196682) is 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine is COc1c(CCN)ccc2[nH]cnc12.
What is the InChIKey of 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine?
The InChIKey is DOIOCNDAQMQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-14-10-7(4-5-11)2-3-8-9(10)13-6-12-8/h2-3,6H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine?
2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine has a molecular weight of 191.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine is sourced from PubChem (CID 173196682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).