2-butoxy-1-pyridin-4-ylbenzimidazole

C16H17N3O — CID 20535846

IUPAC2-butoxy-1-pyridin-4-ylbenzimidazole
SMILESCCCCOc1nc2ccccc2n1-c1ccncc1
InChIInChI=1S/C16H17N3O/c1-2-3-12-20-16-18-14-6-4-5-7-15(14)19(16)13-8-10-17-11-9-13/h4-11H,2-3,12H2,1H3
InChIKeyKOFCEKRDDBZMBL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds5

About 2-butoxy-1-pyridin-4-ylbenzimidazole

2-butoxy-1-pyridin-4-ylbenzimidazole (PubChem CID 20535846) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-butoxy-1-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name2-butoxy-1-pyridin-4-ylbenzimidazole
PubChem CID20535846
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-butoxy-1-pyridin-4-ylbenzimidazole
SMILESCCCCOc1nc2ccccc2n1-c1ccncc1
InChIInChI=1S/C16H17N3O/c1-2-3-12-20-16-18-14-6-4-5-7-15(14)19(16)13-8-10-17-11-9-13/h4-11H,2-3,12H2,1H3
InChIKeyKOFCEKRDDBZMBL-UHFFFAOYSA-N
XLogP3.60
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-propoxybenzimidazole
CID 67816622
2-pentoxy-1-prop-1-en-2-ylbenzimidazole
CID 142654038
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
CID 78166390
1-phenyl-2-tridecylbenzimidazole
CID 24821367
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
CID 122190781
3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid
CID 154665130
8-butoxy-1-methyl-7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium
CID 123909877
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
2-ethoxy-N,N-dimethylbenzimidazol-1-amine
CID 67743844
N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine
CID 134103021

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-pyridin-4-ylbenzimidazole?
The IUPAC name of 2-butoxy-1-pyridin-4-ylbenzimidazole (CID 20535846) is 2-butoxy-1-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 2-butoxy-1-pyridin-4-ylbenzimidazole?
The canonical SMILES for 2-butoxy-1-pyridin-4-ylbenzimidazole is CCCCOc1nc2ccccc2n1-c1ccncc1.
What is the InChIKey of 2-butoxy-1-pyridin-4-ylbenzimidazole?
The InChIKey is KOFCEKRDDBZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-3-12-20-16-18-14-6-4-5-7-15(14)19(16)13-8-10-17-11-9-13/h4-11H,2-3,12H2,1H3.
What are the key properties of 2-butoxy-1-pyridin-4-ylbenzimidazole?
2-butoxy-1-pyridin-4-ylbenzimidazole has a molecular weight of 267.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 20535846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).