1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine

C20H25N5 — CID 122186656

IUPAC1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4cnn(C)c4)CCCC3)[nH]2)cc1
InChIInChI=1S/C20H25N5/c1-15-5-7-17(8-6-15)18-13-21-19(24-18)20(9-3-4-10-20)22-11-16-12-23-25(2)14-16/h5-8,12-14,22H,3-4,9-11H2,1-2H3,(H,21,24)
InChIKeyVWRWNNAPCOOXIS-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.68
Rot. Bonds5

About 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine

1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 122186656) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID122186656
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4cnn(C)c4)CCCC3)[nH]2)cc1
InChIInChI=1S/C20H25N5/c1-15-5-7-17(8-6-15)18-13-21-19(24-18)20(9-3-4-10-20)22-11-16-12-23-25(2)14-16/h5-8,12-14,22H,3-4,9-11H2,1-2H3,(H,21,24)
InChIKeyVWRWNNAPCOOXIS-UHFFFAOYSA-N
XLogP3.68
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
Bag-1
CID 25025860
Pmid25719566C7
CID 91827353
4-(1-Methylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266791
methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine
CID 24971325
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(4-methyl-1H-imidazol-2-yl)ethanamine
CID 16192409
2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
CID 16227558
2-methyl-5-(4-phenylphenyl)-1H-imidazole
CID 44344607

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine (CID 122186656) is 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine is Cc1ccc(-c2cnc(C3(NCc4cnn(C)c4)CCCC3)[nH]2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is VWRWNNAPCOOXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-5-7-17(8-6-15)18-13-21-19(24-18)20(9-3-4-10-20)22-11-16-12-23-25(2)14-16/h5-8,12-14,22H,3-4,9-11H2,1-2H3,(H,21,24).
What are the key properties of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 335.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 122186656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).