N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine

C14H17N5 — CID 103868375

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
SMILESCc1c(CNc2nc3ccccc3n2C)cnn1C
InChIInChI=1S/C14H17N5/c1-10-11(9-16-19(10)3)8-15-14-17-12-6-4-5-7-13(12)18(14)2/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeySRLOUPXCQUTSBO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.23
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 103868375) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID103868375
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
SMILESCc1c(CNc2nc3ccccc3n2C)cnn1C
InChIInChI=1S/C14H17N5/c1-10-11(9-16-19(10)3)8-15-14-17-12-6-4-5-7-13(12)18(14)2/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeySRLOUPXCQUTSBO-UHFFFAOYSA-N
XLogP2.23
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79578493
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
CID 103868131
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
CID 75434623
N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine
CID 5146346
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114139877
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine (CID 103868375) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine is Cc1c(CNc2nc3ccccc3n2C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is SRLOUPXCQUTSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-11(9-16-19(10)3)8-15-14-17-12-6-4-5-7-13(12)18(14)2/h4-7,9H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 103868375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).