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

C24H27N5 — CID 175499601

IUPAC1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1CN1CC[C@H](N2C=CN(c3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C24H27N5/c1-26-14-12-25-24(26)18-27-13-11-23(17-27)29-16-15-28(19-29)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,12,14-16,23H,11,13,17-19H2,1H3/t23-/m0/s1
InChIKeyROBQUGIIHAMTOE-QHCPKHFHSA-N
MW385.52 g/mol
LogP3.91
Rot. Bonds5

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

1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole (PubChem CID 175499601) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
PubChem CID175499601
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1CN1CC[C@H](N2C=CN(c3ccc(-c4ccccc4)cc3)C2)C1
InChIInChI=1S/C24H27N5/c1-26-14-12-25-24(26)18-27-13-11-23(17-27)29-16-15-28(19-29)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,12,14-16,23H,11,13,17-19H2,1H3/t23-/m0/s1
InChIKeyROBQUGIIHAMTOE-QHCPKHFHSA-N
XLogP3.91
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499537
2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 146450991
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
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
CID 133124608
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
(1S,5R)-6-benzyl-3-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70725089
8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 155565735
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole (CID 175499601) is 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole is Cn1ccnc1CN1CC[C@H](N2C=CN(c3ccc(-c4ccccc4)cc3)C2)C1.
What is the InChIKey of 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is ROBQUGIIHAMTOE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N5/c1-26-14-12-25-24(26)18-27-13-11-23(17-27)29-16-15-28(19-29)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,12,14-16,23H,11,13,17-19H2,1H3/t23-/m0/s1.
What are the key properties of 1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole?
1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 385.52 g/mol, XLogP of 3.91, 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-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 175499601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).