2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole

C20H23N3O — CID 51137878

IUPAC2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
SMILESCOc1ccc(CN2CC[C@H](c3nc4ccccc4n3C)C2)cc1
InChIInChI=1S/C20H23N3O/c1-22-19-6-4-3-5-18(19)21-20(22)16-11-12-23(14-16)13-15-7-9-17(24-2)10-8-15/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyDCPXDOPAQPISCF-INIZCTEOSA-N
MW321.42 g/mol
LogP3.57
Rot. Bonds4

About 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole

2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole (PubChem CID 51137878) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
PubChem CID51137878
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
SMILESCOc1ccc(CN2CC[C@H](c3nc4ccccc4n3C)C2)cc1
InChIInChI=1S/C20H23N3O/c1-22-19-6-4-3-5-18(19)21-20(22)16-11-12-23(14-16)13-15-7-9-17(24-2)10-8-15/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyDCPXDOPAQPISCF-INIZCTEOSA-N
XLogP3.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 46888827
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56915361
[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91946931
3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191327
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110411

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole (CID 51137878) is 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole is COc1ccc(CN2CC[C@H](c3nc4ccccc4n3C)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
The InChIKey is DCPXDOPAQPISCF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22-19-6-4-3-5-18(19)21-20(22)16-11-12-23(14-16)13-15-7-9-17(24-2)10-8-15/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole?
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole has a molecular weight of 321.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole is sourced from PubChem (CID 51137878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).