4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole

C23H26N6 — CID 50975610

IUPAC4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole
SMILESCCCn1ccnc1-c1c(-c2ccccc2)ncn1CC1(Cn2cccn2)CC1
InChIInChI=1S/C23H26N6/c1-2-13-27-15-12-24-22(27)21-20(19-7-4-3-5-8-19)25-18-28(21)16-23(9-10-23)17-29-14-6-11-26-29/h3-8,11-12,14-15,18H,2,9-10,13,16-17H2,1H3
InChIKeyLZJRSVMHIKSXJS-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.50
Rot. Bonds8

About 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole

4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole (PubChem CID 50975610) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole.

Molecular Properties

Compound Name4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole
PubChem CID50975610
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole
SMILESCCCn1ccnc1-c1c(-c2ccccc2)ncn1CC1(Cn2cccn2)CC1
InChIInChI=1S/C23H26N6/c1-2-13-27-15-12-24-22(27)21-20(19-7-4-3-5-8-19)25-18-28(21)16-23(9-10-23)17-29-14-6-11-26-29/h3-8,11-12,14-15,18H,2,9-10,13,16-17H2,1H3
InChIKeyLZJRSVMHIKSXJS-UHFFFAOYSA-N
XLogP4.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-diphenyl-1-propylimidazole
CID 14950648
2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid
CID 70709599
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
CID 50971250
3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine
CID 50964809
5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 50977594
5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole
CID 50980964
2-[5-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-4-phenylimidazol-1-yl]ethanol
CID 50977500
2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole
CID 56872855
4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole?
The IUPAC name of 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole (CID 50975610) is 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole.
What is the SMILES notation for 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole?
The canonical SMILES for 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole is CCCn1ccnc1-c1c(-c2ccccc2)ncn1CC1(Cn2cccn2)CC1.
What is the InChIKey of 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole?
The InChIKey is LZJRSVMHIKSXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-2-13-27-15-12-24-22(27)21-20(19-7-4-3-5-8-19)25-18-28(21)16-23(9-10-23)17-29-14-6-11-26-29/h3-8,11-12,14-15,18H,2,9-10,13,16-17H2,1H3.
What are the key properties of 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole?
4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole has a molecular weight of 386.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(1-propylimidazol-2-yl)-1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole is sourced from PubChem (CID 50975610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).