1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C24H27N5 — CID 119114943

IUPAC1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C24H27N5/c1-18-24(19(2)28(3)27-18)15-26-14-22-6-4-5-7-23(22)21-10-8-20(9-11-21)16-29-13-12-25-17-29/h4-13,17,26H,14-16H2,1-3H3
InChIKeyCUMBGYGDKRVYMF-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.24
Rot. Bonds7

About 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 119114943) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID119114943
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C24H27N5/c1-18-24(19(2)28(3)27-18)15-26-14-22-6-4-5-7-23(22)21-10-8-20(9-11-21)16-29-13-12-25-17-29/h4-13,17,26H,14-16H2,1-3H3
InChIKeyCUMBGYGDKRVYMF-UHFFFAOYSA-N
XLogP4.24
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methylamino]butan-2-ol
CID 167977937
6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine
CID 133287760
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine
CID 133287796
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
CID 119869593
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38262519
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978036
1-[(3-fluorophenyl)methyl]-3-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-2-methylguanidine
CID 111877411
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133287773
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974792

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 119114943) is 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNCc1ccccc1-c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is CUMBGYGDKRVYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-18-24(19(2)28(3)27-18)15-26-14-22-6-4-5-7-23(22)21-10-8-20(9-11-21)16-29-13-12-25-17-29/h4-13,17,26H,14-16H2,1-3H3.
What are the key properties of 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 385.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119114943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).