1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine

C14H17N5O — CID 107463924

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2cc(OC)ccc21
InChIInChI=1S/C14H17N5O/c1-4-10-13(8-18(2)17-10)19-12-6-5-9(20-3)7-11(12)16-14(19)15/h5-8H,4H2,1-3H3,(H2,15,16)
InChIKeyXCGKVYJEHFZAPX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine

1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine (PubChem CID 107463924) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine
PubChem CID107463924
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine
SMILESCCc1nn(C)cc1-n1c(N)nc2cc(OC)ccc21
InChIInChI=1S/C14H17N5O/c1-4-10-13(8-18(2)17-10)19-12-6-5-9(20-3)7-11(12)16-14(19)15/h5-8H,4H2,1-3H3,(H2,15,16)
InChIKeyXCGKVYJEHFZAPX-UHFFFAOYSA-N
XLogP1.91
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine (CID 107463924) is 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine is CCc1nn(C)cc1-n1c(N)nc2cc(OC)ccc21.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine?
The InChIKey is XCGKVYJEHFZAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-10-13(8-18(2)17-10)19-12-6-5-9(20-3)7-11(12)16-14(19)15/h5-8H,4H2,1-3H3,(H2,15,16).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine has a molecular weight of 271.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine is sourced from PubChem (CID 107463924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).