N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine

C16H24N4O — CID 133410029

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
SMILESCOCCN1CCC(CNc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H24N4O/c1-21-11-10-20-8-6-13(7-9-20)12-17-16-18-14-4-2-3-5-15(14)19-16/h2-5,13H,6-12H2,1H3,(H2,17,18,19)
InChIKeyLCHZPSKPROCPKL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133410029) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
PubChem CID133410029
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
SMILESCOCCN1CCC(CNc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H24N4O/c1-21-11-10-20-8-6-13(7-9-20)12-17-16-18-14-4-2-3-5-15(14)19-16/h2-5,13H,6-12H2,1H3,(H2,17,18,19)
InChIKeyLCHZPSKPROCPKL-UHFFFAOYSA-N
XLogP2.33
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1H-benzimidazol-2-ylamino)methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 133410842
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-amine
CID 71879901
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
CID 133409978
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 71879951
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
CID 133410943
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294732
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine (CID 133410029) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine is COCCN1CCC(CNc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is LCHZPSKPROCPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-21-11-10-20-8-6-13(7-9-20)12-17-16-18-14-4-2-3-5-15(14)19-16/h2-5,13H,6-12H2,1H3,(H2,17,18,19).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).