1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol

C19H21N3O2 — CID 71648335

IUPAC1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
SMILESCOc1ccc(Cn2c(N3CCC(O)C3)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-24-16-8-6-14(7-9-16)12-22-18-5-3-2-4-17(18)20-19(22)21-11-10-15(23)13-21/h2-9,15,23H,10-13H2,1H3
InChIKeyNRRQILMDIBNJRQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.66
Rot. Bonds4

About 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol

1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol (PubChem CID 71648335) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
PubChem CID71648335
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
SMILESCOc1ccc(Cn2c(N3CCC(O)C3)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-24-16-8-6-14(7-9-16)12-22-18-5-3-2-4-17(18)20-19(22)21-11-10-15(23)13-21/h2-9,15,23H,10-13H2,1H3
InChIKeyNRRQILMDIBNJRQ-UHFFFAOYSA-N
XLogP2.66
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649801
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
tert-butyl N-[(3S)-1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate
CID 97168181
1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649802
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
CID 71649830
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 45270330
(3S,4R)-1-[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]-4-methylpiperidin-3-amine
CID 155619559
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 46106803
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882892
tert-butyl N-[(3S)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174156

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol (CID 71648335) is 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol is COc1ccc(Cn2c(N3CCC(O)C3)nc3ccccc32)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
The InChIKey is NRRQILMDIBNJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-16-8-6-14(7-9-16)12-22-18-5-3-2-4-17(18)20-19(22)21-11-10-15(23)13-21/h2-9,15,23H,10-13H2,1H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol?
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol has a molecular weight of 323.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 71648335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).