2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole

C19H19F2N3 — CID 75615874

IUPAC2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
SMILESCn1c(C2CCN(Cc3ccc(F)c(F)c3)C2)nc2ccccc21
InChIInChI=1S/C19H19F2N3/c1-23-18-5-3-2-4-17(18)22-19(23)14-8-9-24(12-14)11-13-6-7-15(20)16(21)10-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyJVKRSAITKZJWCY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.84
Rot. Bonds3

About 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole

2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole (PubChem CID 75615874) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
PubChem CID75615874
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
SMILESCn1c(C2CCN(Cc3ccc(F)c(F)c3)C2)nc2ccccc21
InChIInChI=1S/C19H19F2N3/c1-23-18-5-3-2-4-17(18)22-19(23)14-8-9-24(12-14)11-13-6-7-15(20)16(21)10-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyJVKRSAITKZJWCY-UHFFFAOYSA-N
XLogP3.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56915361
2-[[(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylbenzimidazole
CID 69245438
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383
3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191327
3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110411
1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
CID 10342628
2-[(3R)-1-[(3,5-difluorophenyl)methylsulfonyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626585
1-[(4-fluorophenyl)methyl]-2-[(3S)-1-methylpiperidin-3-yl]benzimidazole
CID 46888882
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CID 51137097

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole (CID 75615874) is 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole is Cn1c(C2CCN(Cc3ccc(F)c(F)c3)C2)nc2ccccc21.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
The InChIKey is JVKRSAITKZJWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3/c1-23-18-5-3-2-4-17(18)22-19(23)14-8-9-24(12-14)11-13-6-7-15(20)16(21)10-13/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole has a molecular weight of 327.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole is sourced from PubChem (CID 75615874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).