2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol

C15H24N4O2 — CID 82310791

IUPAC2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
SMILESCOc1ccc2c(c1)nc(CN(C)CCO)n2CCCN
InChIInChI=1S/C15H24N4O2/c1-18(8-9-20)11-15-17-13-10-12(21-2)4-5-14(13)19(15)7-3-6-16/h4-5,10,20H,3,6-9,11,16H2,1-2H3
InChIKeyKFPCSNDAQSHVAQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.82
Rot. Bonds8

About 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol

2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol (PubChem CID 82310791) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
PubChem CID82310791
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
SMILESCOc1ccc2c(c1)nc(CN(C)CCO)n2CCCN
InChIInChI=1S/C15H24N4O2/c1-18(8-9-20)11-15-17-13-10-12(21-2)4-5-14(13)19(15)7-3-6-16/h4-5,10,20H,3,6-9,11,16H2,1-2H3
InChIKeyKFPCSNDAQSHVAQ-UHFFFAOYSA-N
XLogP0.82
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82334385
3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
CID 82310788
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311201
3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol (CID 82310791) is 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol is COc1ccc2c(c1)nc(CN(C)CCO)n2CCCN.
What is the InChIKey of 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol?
The InChIKey is KFPCSNDAQSHVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(8-9-20)11-15-17-13-10-12(21-2)4-5-14(13)19(15)7-3-6-16/h4-5,10,20H,3,6-9,11,16H2,1-2H3.
What are the key properties of 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol?
2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol has a molecular weight of 292.38 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 82310791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).