1-pent-4-ynyl-2-propylbenzimidazole

C15H18N2 — CID 113374435

IUPAC1-pent-4-ynyl-2-propylbenzimidazole
SMILESC#CCCCn1c(CCC)nc2ccccc21
InChIInChI=1S/C15H18N2/c1-3-5-8-12-17-14-11-7-6-10-13(14)16-15(17)9-4-2/h1,6-7,10-11H,4-5,8-9,12H2,2H3
InChIKeyDHBQAXIGHHRHAU-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.40
Rot. Bonds5

About 1-pent-4-ynyl-2-propylbenzimidazole

1-pent-4-ynyl-2-propylbenzimidazole (PubChem CID 113374435) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-pent-4-ynyl-2-propylbenzimidazole.

Molecular Properties

Compound Name1-pent-4-ynyl-2-propylbenzimidazole
PubChem CID113374435
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-pent-4-ynyl-2-propylbenzimidazole
SMILESC#CCCCn1c(CCC)nc2ccccc21
InChIInChI=1S/C15H18N2/c1-3-5-8-12-17-14-11-7-6-10-13(14)16-15(17)9-4-2/h1,6-7,10-11H,4-5,8-9,12H2,2H3
InChIKeyDHBQAXIGHHRHAU-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pent-4-ynyl-2-propylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-2-propylbenzimidazole?
The IUPAC name of 1-pent-4-ynyl-2-propylbenzimidazole (CID 113374435) is 1-pent-4-ynyl-2-propylbenzimidazole.
What is the SMILES notation for 1-pent-4-ynyl-2-propylbenzimidazole?
The canonical SMILES for 1-pent-4-ynyl-2-propylbenzimidazole is C#CCCCn1c(CCC)nc2ccccc21.
What is the InChIKey of 1-pent-4-ynyl-2-propylbenzimidazole?
The InChIKey is DHBQAXIGHHRHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-5-8-12-17-14-11-7-6-10-13(14)16-15(17)9-4-2/h1,6-7,10-11H,4-5,8-9,12H2,2H3.
What are the key properties of 1-pent-4-ynyl-2-propylbenzimidazole?
1-pent-4-ynyl-2-propylbenzimidazole has a molecular weight of 226.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-2-propylbenzimidazole is sourced from PubChem (CID 113374435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).