[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine

C14H19N3O — CID 115450576

IUPAC[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
SMILESCOCCn1c(C2(CN)CC2)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-18-9-8-17-12-5-3-2-4-11(12)16-13(17)14(10-15)6-7-14/h2-5H,6-10,15H2,1H3
InChIKeyWJGHODJINVSPEN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.67
Rot. Bonds5

About [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine

[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine (PubChem CID 115450576) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
PubChem CID115450576
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
SMILESCOCCn1c(C2(CN)CC2)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-18-9-8-17-12-5-3-2-4-11(12)16-13(17)14(10-15)6-7-14/h2-5H,6-10,15H2,1H3
InChIKeyWJGHODJINVSPEN-UHFFFAOYSA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 115445727
[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
CID 66167951
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one
CID 84792832
(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7043417

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine (CID 115450576) is [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine is COCCn1c(C2(CN)CC2)nc2ccccc21.
What is the InChIKey of [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is WJGHODJINVSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-9-8-17-12-5-3-2-4-11(12)16-13(17)14(10-15)6-7-14/h2-5H,6-10,15H2,1H3.
What are the key properties of [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine?
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 115450576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).