1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone

C17H16ClN3O3 — CID 162345103

IUPAC1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
SMILESCOc1ccc2c(c1)nc(C(=O)Cc1nccc(OC)c1C)n2Cl
InChIInChI=1S/C17H16ClN3O3/c1-10-12(19-7-6-16(10)24-3)9-15(22)17-20-13-8-11(23-2)4-5-14(13)21(17)18/h4-8H,9H2,1-3H3
InChIKeyDQEQTAWBDYNYTO-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.18
Rot. Bonds5

About 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone

1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone (PubChem CID 162345103) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
PubChem CID162345103
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
SMILESCOc1ccc2c(c1)nc(C(=O)Cc1nccc(OC)c1C)n2Cl
InChIInChI=1S/C17H16ClN3O3/c1-10-12(19-7-6-16(10)24-3)9-15(22)17-20-13-8-11(23-2)4-5-14(13)21(17)18/h4-8H,9H2,1-3H3
InChIKeyDQEQTAWBDYNYTO-UHFFFAOYSA-N
XLogP3.18
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 166824574
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
4,7-dimethoxyquinoline
CID 20743716
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009
1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
CID 163442412
S-[(4-methoxy-3-methyl-2-pyridinyl)methyl] ethanethioate
CID 22151433
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
methyl 4-[6-amino-1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]oxy-3-methylpyridine-2-carboxylate
CID 56605236
1-[[5-methoxy-2-[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)acetyl]benzimidazol-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 58677371
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
4-methoxy-3-methyl-2-propylpyridine
CID 89037214

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone (CID 162345103) is 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone is COc1ccc2c(c1)nc(C(=O)Cc1nccc(OC)c1C)n2Cl.
What is the InChIKey of 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
The InChIKey is DQEQTAWBDYNYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-10-12(19-7-6-16(10)24-3)9-15(22)17-20-13-8-11(23-2)4-5-14(13)21(17)18/h4-8H,9H2,1-3H3.
What are the key properties of 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone?
1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone has a molecular weight of 345.79 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-5-methoxybenzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 162345103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).