1-[(6-propyl-2-pyridinyl)methyl]benzimidazole

C16H17N3 — CID 166263430

IUPAC1-[(6-propyl-2-pyridinyl)methyl]benzimidazole
SMILESCCCc1cccc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C16H17N3/c1-2-6-13-7-5-8-14(18-13)11-19-12-17-15-9-3-4-10-16(15)19/h3-5,7-10,12H,2,6,11H2,1H3
InChIKeyRDPYQSPKNYGOHN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.43
Rot. Bonds4

About 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole

1-[(6-propyl-2-pyridinyl)methyl]benzimidazole (PubChem CID 166263430) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(6-propyl-2-pyridinyl)methyl]benzimidazole
PubChem CID166263430
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[(6-propyl-2-pyridinyl)methyl]benzimidazole
SMILESCCCc1cccc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C16H17N3/c1-2-6-13-7-5-8-14(18-13)11-19-12-17-15-9-3-4-10-16(15)19/h3-5,7-10,12H,2,6,11H2,1H3
InChIKeyRDPYQSPKNYGOHN-UHFFFAOYSA-N
XLogP3.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyltriazol-4-yl)methyl]benzimidazole
CID 166839285
bis(1-butylbenzimidazole);ethane
CID 142164287
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
1-[(2-propoxyphenyl)methyl]benzimidazole
CID 15840178
4,5-bis(benzimidazol-1-ylmethyl)acridine
CID 102172067
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62447423
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192
1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole
CID 79240743
1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
CID 40698685

Frequently Asked Questions

What is the IUPAC name of 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole?
The IUPAC name of 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole (CID 166263430) is 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole is CCCc1cccc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole?
The InChIKey is RDPYQSPKNYGOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-6-13-7-5-8-14(18-13)11-19-12-17-15-9-3-4-10-16(15)19/h3-5,7-10,12H,2,6,11H2,1H3.
What are the key properties of 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole?
1-[(6-propyl-2-pyridinyl)methyl]benzimidazole has a molecular weight of 251.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-propyl-2-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 166263430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).