N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine

C17H26N4 — CID 43195903

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCCN1CCCC1CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C17H26N4/c1-4-21-11-7-8-14(21)12-18-13(2)17-19-15-9-5-6-10-16(15)20(17)3/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3
InChIKeyDMZJNVOMZHGJAJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.71
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 43195903) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID43195903
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCCN1CCCC1CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C17H26N4/c1-4-21-11-7-8-14(21)12-18-13(2)17-19-15-9-5-6-10-16(15)20(17)3/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3
InChIKeyDMZJNVOMZHGJAJ-UHFFFAOYSA-N
XLogP2.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64928260
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 114909627
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine
CID 62536351
2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 43196258
1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538077
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (CID 43195903) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine is CCN1CCCC1CNC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is DMZJNVOMZHGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-21-11-7-8-14(21)12-18-13(2)17-19-15-9-5-6-10-16(15)20(17)3/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 286.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 43195903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).