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

C16H21N3O2 — CID 103174131

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccnc(Cn2c(C)nc3c2CCCC3)c1OC
InChIInChI=1S/C16H21N3O2/c1-11-18-12-6-4-5-7-14(12)19(11)10-13-16(21-3)15(20-2)8-9-17-13/h8-9H,4-7,10H2,1-3H3
InChIKeyLAKISLVYGSVCNY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds4

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

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 103174131) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID103174131
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccnc(Cn2c(C)nc3c2CCCC3)c1OC
InChIInChI=1S/C16H21N3O2/c1-11-18-12-6-4-5-7-14(12)19(11)10-13-16(21-3)15(20-2)8-9-17-13/h8-9H,4-7,10H2,1-3H3
InChIKeyLAKISLVYGSVCNY-UHFFFAOYSA-N
XLogP2.53
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626720
[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine
CID 106786023
6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
CID 116626693
1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 135638839
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 119047122
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 103174131) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is COc1ccnc(Cn2c(C)nc3c2CCCC3)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is LAKISLVYGSVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-18-12-6-4-5-7-14(12)19(11)10-13-16(21-3)15(20-2)8-9-17-13/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 287.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 103174131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).