1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol

C19H21N3O — CID 71634624

IUPAC1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
SMILESCc1ccccc1Cn1c(N2CCC(O)C2)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-14-6-2-3-7-15(14)12-22-18-9-5-4-8-17(18)20-19(22)21-11-10-16(23)13-21/h2-9,16,23H,10-13H2,1H3
InChIKeyLWQJKDUDIMBABG-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.96
Rot. Bonds3

About 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol

1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol (PubChem CID 71634624) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
PubChem CID71634624
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
SMILESCc1ccccc1Cn1c(N2CCC(O)C2)nc2ccccc21
InChIInChI=1S/C19H21N3O/c1-14-6-2-3-7-15(14)12-22-18-9-5-4-8-17(18)20-19(22)21-11-10-16(23)13-21/h2-9,16,23H,10-13H2,1H3
InChIKeyLWQJKDUDIMBABG-UHFFFAOYSA-N
XLogP2.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649801
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649802
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
CID 71649830
2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 176915310
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20882871
(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol
CID 25405248
ethyl 1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 6620147
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol (CID 71634624) is 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol is Cc1ccccc1Cn1c(N2CCC(O)C2)nc2ccccc21.
What is the InChIKey of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The InChIKey is LWQJKDUDIMBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-6-2-3-7-15(14)12-22-18-9-5-4-8-17(18)20-19(22)21-11-10-16(23)13-21/h2-9,16,23H,10-13H2,1H3.
What are the key properties of 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol has a molecular weight of 307.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 71634624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).