1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole

C17H19N3O — CID 116627019

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cccnc1OC
InChIInChI=1S/C17H19N3O/c1-3-7-16-19-14-9-4-5-10-15(14)20(16)12-13-8-6-11-18-17(13)21-2/h4-6,8-11H,3,7,12H2,1-2H3
InChIKeyLDPDNAYVMHNRHR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.44
Rot. Bonds5

About 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole

1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole (PubChem CID 116627019) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
PubChem CID116627019
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cccnc1OC
InChIInChI=1S/C17H19N3O/c1-3-7-16-19-14-9-4-5-10-15(14)20(16)12-13-8-6-11-18-17(13)21-2/h4-6,8-11H,3,7,12H2,1-2H3
InChIKeyLDPDNAYVMHNRHR-UHFFFAOYSA-N
XLogP3.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
CID 79750873
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63107308
2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole
CID 82742020
5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
CID 112683284

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole (CID 116627019) is 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1cccnc1OC.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole?
The InChIKey is LDPDNAYVMHNRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-7-16-19-14-9-4-5-10-15(14)20(16)12-13-8-6-11-18-17(13)21-2/h4-6,8-11H,3,7,12H2,1-2H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole?
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole has a molecular weight of 281.36 g/mol, XLogP of 3.44, 5 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-propylbenzimidazole is sourced from PubChem (CID 116627019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).