1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine

C15H19N5O — CID 131936062

IUPAC1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2nc3ccc(OC)cc3[nH]2)n1
InChIInChI=1S/C15H19N5O/c1-3-20-7-6-11(19-20)9-16-10-15-17-13-5-4-12(21-2)8-14(13)18-15/h4-8,16H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyUAJPQLDKWCFUTR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.08
Rot. Bonds6

About 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine

1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine (PubChem CID 131936062) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine
PubChem CID131936062
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2nc3ccc(OC)cc3[nH]2)n1
InChIInChI=1S/C15H19N5O/c1-3-20-7-6-11(19-20)9-16-10-15-17-13-5-4-12(21-2)8-14(13)18-15/h4-8,16H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyUAJPQLDKWCFUTR-UHFFFAOYSA-N
XLogP2.08
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 134084471
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 19619321
1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70740746
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274260
2-ethyl-5-methoxyindazole
CID 10856015
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine
CID 56860984
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine (CID 131936062) is 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine is CCn1ccc(CNCc2nc3ccc(OC)cc3[nH]2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine?
The InChIKey is UAJPQLDKWCFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-20-7-6-11(19-20)9-16-10-15-17-13-5-4-12(21-2)8-14(13)18-15/h4-8,16H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine?
1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 131936062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).