2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole

C22H21N3O — CID 66760614

IUPAC2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole
SMILESCCc1nc2c(OCc3ccccc3)cccc2n1Cc1ccccn1
InChIInChI=1S/C22H21N3O/c1-2-21-24-22-19(25(21)15-18-11-6-7-14-23-18)12-8-13-20(22)26-16-17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3
InChIKeyYYWYPKRFPGHYHB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.62
Rot. Bonds6

About 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole

2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole (PubChem CID 66760614) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole
PubChem CID66760614
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole
SMILESCCc1nc2c(OCc3ccccc3)cccc2n1Cc1ccccn1
InChIInChI=1S/C22H21N3O/c1-2-21-24-22-19(25(21)15-18-11-6-7-14-23-18)12-8-13-20(22)26-16-17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3
InChIKeyYYWYPKRFPGHYHB-UHFFFAOYSA-N
XLogP4.62
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-phenylmethoxybenzimidazol-2-amine
CID 144791590
4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole
CID 104837373
2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 60788968
2-(2-phenylmethoxyphenoxy)pyridine
CID 19835584
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
CID 102503171
1-(2-methoxyethyl)-4-phenylmethoxy-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 42667450
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
1-(3-ethoxy-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6459415
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole?
The IUPAC name of 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole (CID 66760614) is 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole is CCc1nc2c(OCc3ccccc3)cccc2n1Cc1ccccn1.
What is the InChIKey of 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole?
The InChIKey is YYWYPKRFPGHYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-21-24-22-19(25(21)15-18-11-6-7-14-23-18)12-8-13-20(22)26-16-17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3.
What are the key properties of 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole?
2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole has a molecular weight of 343.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 66760614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).