2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole

C24H30N4 — CID 24897441

IUPAC2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(CN2CC[C@H](N3CCC[C@@H]3C)C2)cc1
InChIInChI=1S/C24H30N4/c1-18-6-5-14-27(18)22-13-15-26(17-22)16-20-9-11-21(12-10-20)28-19(2)25-23-7-3-4-8-24(23)28/h3-4,7-12,18,22H,5-6,13-17H2,1-2H3/t18-,22-/m0/s1
InChIKeyJAPSTZODEUHBEO-AVRDEDQJSA-N
MW374.53 g/mol
LogP4.39
Rot. Bonds4

About 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole

2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole (PubChem CID 24897441) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole
PubChem CID24897441
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(CN2CC[C@H](N3CCC[C@@H]3C)C2)cc1
InChIInChI=1S/C24H30N4/c1-18-6-5-14-27(18)22-13-15-26(17-22)16-20-9-11-21(12-10-20)28-19(2)25-23-7-3-4-8-24(23)28/h3-4,7-12,18,22H,5-6,13-17H2,1-2H3/t18-,22-/m0/s1
InChIKeyJAPSTZODEUHBEO-AVRDEDQJSA-N
XLogP4.39
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009557
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
5-fluoro-1-[[4-[[3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]methyl]benzimidazole
CID 25031984
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 82513889
1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone
CID 71628854
1-(1-benzylpiperidin-3-yl)-2-(chloromethyl)benzimidazole
CID 71646521
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 69248116
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 25120609
1-[[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]phenyl]methyl]benzimidazole
CID 25031243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole (CID 24897441) is 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole is Cc1nc2ccccc2n1-c1ccc(CN2CC[C@H](N3CCC[C@@H]3C)C2)cc1.
What is the InChIKey of 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole?
The InChIKey is JAPSTZODEUHBEO-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H30N4/c1-18-6-5-14-27(18)22-13-15-26(17-22)16-20-9-11-21(12-10-20)28-19(2)25-23-7-3-4-8-24(23)28/h3-4,7-12,18,22H,5-6,13-17H2,1-2H3/t18-,22-/m0/s1.
What are the key properties of 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole?
2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole has a molecular weight of 374.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole is sourced from PubChem (CID 24897441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).