1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C15H19N3O — CID 116626720

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ncccc1Cn1c(C)nc2c1CCCC2
InChIInChI=1S/C15H19N3O/c1-11-17-13-7-3-4-8-14(13)18(11)10-12-6-5-9-16-15(12)19-2/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyVMIUEHUDROZBLM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626720) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626720
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ncccc1Cn1c(C)nc2c1CCCC2
InChIInChI=1S/C15H19N3O/c1-11-17-13-7-3-4-8-14(13)18(11)10-12-6-5-9-16-15(12)19-2/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyVMIUEHUDROZBLM-UHFFFAOYSA-N
XLogP2.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626506
6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
CID 116626693
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103174131
1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626515
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350
1'-[(2-methoxy-3-pyridinyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163308924
7-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404757
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535535

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626720) is 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is COc1ncccc1Cn1c(C)nc2c1CCCC2.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is VMIUEHUDROZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-17-13-7-3-4-8-14(13)18(11)10-12-6-5-9-16-15(12)19-2/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 257.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).