N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

C16H25N3O2 — CID 82335944

IUPACN-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCCc1ccc2nc(CN(CCOC)CCOC)[nH]c2c1
InChIInChI=1S/C16H25N3O2/c1-4-13-5-6-14-15(11-13)18-16(17-14)12-19(7-9-20-2)8-10-21-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,18)
InChIKeyJTOJXYZVHGLPAK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.22
Rot. Bonds9

About N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 82335944) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID82335944
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCCc1ccc2nc(CN(CCOC)CCOC)[nH]c2c1
InChIInChI=1S/C16H25N3O2/c1-4-13-5-6-14-15(11-13)18-16(17-14)12-19(7-9-20-2)8-10-21-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,18)
InChIKeyJTOJXYZVHGLPAK-UHFFFAOYSA-N
XLogP2.22
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004507
2-[[(7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]methyl]-3H-quinazolin-4-one
CID 135809314
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
CID 59826293
2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
CID 82337062

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 82335944) is N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is CCc1ccc2nc(CN(CCOC)CCOC)[nH]c2c1.
What is the InChIKey of N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is JTOJXYZVHGLPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-13-5-6-14-15(11-13)18-16(17-14)12-19(7-9-20-2)8-10-21-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,18).
What are the key properties of N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 291.40 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82335944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).