N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine

C14H17N5 — CID 112550005

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
SMILESCCc1nn(C)cc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C14H17N5/c1-3-11-10(9-19(2)18-11)8-15-14-16-12-6-4-5-7-13(12)17-14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17)
InChIKeySZCZBTZYCXGPJT-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.47
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine (PubChem CID 112550005) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
PubChem CID112550005
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
SMILESCCc1nn(C)cc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C14H17N5/c1-3-11-10(9-19(2)18-11)8-15-14-16-12-6-4-5-7-13(12)17-14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17)
InChIKeySZCZBTZYCXGPJT-UHFFFAOYSA-N
XLogP2.47
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 115990483
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409737
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 133444786
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine
CID 166193691
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine (CID 112550005) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine is CCc1nn(C)cc1CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is SZCZBTZYCXGPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-11-10(9-19(2)18-11)8-15-14-16-12-6-4-5-7-13(12)17-14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 255.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 112550005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).