4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine

C15H22N4O — CID 106019994

IUPAC4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CC1CCCN1C
InChIInChI=1S/C15H22N4O/c1-3-20-13-8-4-7-12-14(13)17-15(16)19(12)10-11-6-5-9-18(11)2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyRLKGLVFGSSSNCY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.11
Rot. Bonds4

About 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine

4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine (PubChem CID 106019994) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
PubChem CID106019994
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CC1CCCN1C
InChIInChI=1S/C15H22N4O/c1-3-20-13-8-4-7-12-14(13)17-15(16)19(12)10-11-6-5-9-18(11)2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyRLKGLVFGSSSNCY-UHFFFAOYSA-N
XLogP2.11
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326378
4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 106035762
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104718640
8-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinolin-2-amine
CID 22254585
5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine
CID 66081003
4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 10308401
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine (CID 106019994) is 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine is CCOc1cccc2c1nc(N)n2CC1CCCN1C.
What is the InChIKey of 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is RLKGLVFGSSSNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-20-13-8-4-7-12-14(13)17-15(16)19(12)10-11-6-5-9-18(11)2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,16,17).
What are the key properties of 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine?
4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106019994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).