1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole

C25H29N5 — CID 175499537

IUPAC1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
SMILESCc1cc(-c2ccccc2)ccc1N1C=CN([C@H]2CCN(Cc3nccn3C)C2)C1
InChIInChI=1S/C25H29N5/c1-20-16-22(21-6-4-3-5-7-21)8-9-24(20)30-15-14-29(19-30)23-10-12-28(17-23)18-25-26-11-13-27(25)2/h3-9,11,13-16,23H,10,12,17-19H2,1-2H3/t23-/m0/s1
InChIKeyHZVUQYDMSPGFIW-QHCPKHFHSA-N
MW399.54 g/mol
LogP4.22
Rot. Bonds5

About 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole

1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole (PubChem CID 175499537) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
PubChem CID175499537
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
SMILESCc1cc(-c2ccccc2)ccc1N1C=CN([C@H]2CCN(Cc3nccn3C)C2)C1
InChIInChI=1S/C25H29N5/c1-20-16-22(21-6-4-3-5-7-21)8-9-24(20)30-15-14-29(19-30)23-10-12-28(17-23)18-25-26-11-13-27(25)2/h3-9,11,13-16,23H,10,12,17-19H2,1-2H3/t23-/m0/s1
InChIKeyHZVUQYDMSPGFIW-QHCPKHFHSA-N
XLogP4.22
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499601
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one
CID 151411777
2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 146450991
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
CID 133124608
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
(1S,5R)-6-benzyl-3-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70725089
4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 95844012
3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 95828246
3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 110258647

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole (CID 175499537) is 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole is Cc1cc(-c2ccccc2)ccc1N1C=CN([C@H]2CCN(Cc3nccn3C)C2)C1.
What is the InChIKey of 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is HZVUQYDMSPGFIW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N5/c1-20-16-22(21-6-4-3-5-7-21)8-9-24(20)30-15-14-29(19-30)23-10-12-28(17-23)18-25-26-11-13-27(25)2/h3-9,11,13-16,23H,10,12,17-19H2,1-2H3/t23-/m0/s1.
What are the key properties of 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 399.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 175499537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).