1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine

C14H17N5O — CID 115990874

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2Cc1cn(C)nc1C
InChIInChI=1S/C14H17N5O/c1-9-10(7-18(2)17-9)8-19-13-5-4-11(20-3)6-12(13)16-14(19)15/h4-7H,8H2,1-3H3,(H2,15,16)
InChIKeyNUFPPGDSXUZKOQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.72
Rot. Bonds3

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine (PubChem CID 115990874) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine
PubChem CID115990874
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2Cc1cn(C)nc1C
InChIInChI=1S/C14H17N5O/c1-9-10(7-18(2)17-9)8-19-13-5-4-11(20-3)6-12(13)16-14(19)15/h4-7H,8H2,1-3H3,(H2,15,16)
InChIKeyNUFPPGDSXUZKOQ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine
CID 112671160
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine
CID 107463924
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-iodobenzimidazol-2-amine
CID 115990863
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326321
5-chloro-2-(chloromethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole
CID 115991036
2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
CID 83114952
1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
CID 112671985
5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406245

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine (CID 115990874) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine is COc1ccc2c(c1)nc(N)n2Cc1cn(C)nc1C.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine?
The InChIKey is NUFPPGDSXUZKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-10(7-18(2)17-9)8-19-13-5-4-11(20-3)6-12(13)16-14(19)15/h4-7H,8H2,1-3H3,(H2,15,16).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine has a molecular weight of 271.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzimidazol-2-amine is sourced from PubChem (CID 115990874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).