1-(3-methylbut-3-enyl)-2-propylbenzimidazole

C15H20N2 — CID 114476798

IUPAC1-(3-methylbut-3-enyl)-2-propylbenzimidazole
SMILESC=C(C)CCn1c(CCC)nc2ccccc21
InChIInChI=1S/C15H20N2/c1-4-7-15-16-13-8-5-6-9-14(13)17(15)11-10-12(2)3/h5-6,8-9H,2,4,7,10-11H2,1,3H3
InChIKeyRTGWNQGXCYCOSF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.95
Rot. Bonds5

About 1-(3-methylbut-3-enyl)-2-propylbenzimidazole

1-(3-methylbut-3-enyl)-2-propylbenzimidazole (PubChem CID 114476798) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-2-propylbenzimidazole
PubChem CID114476798
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(3-methylbut-3-enyl)-2-propylbenzimidazole
SMILESC=C(C)CCn1c(CCC)nc2ccccc21
InChIInChI=1S/C15H20N2/c1-4-7-15-16-13-8-5-6-9-14(13)17(15)11-10-12(2)3/h5-6,8-9H,2,4,7,10-11H2,1,3H3
InChIKeyRTGWNQGXCYCOSF-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 116626955
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
1-benzyl-2-propylbenzimidazole
CID 764560
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115971123
2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
CID 106804293
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-2-propylbenzimidazole?
The IUPAC name of 1-(3-methylbut-3-enyl)-2-propylbenzimidazole (CID 114476798) is 1-(3-methylbut-3-enyl)-2-propylbenzimidazole.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-2-propylbenzimidazole?
The canonical SMILES for 1-(3-methylbut-3-enyl)-2-propylbenzimidazole is C=C(C)CCn1c(CCC)nc2ccccc21.
What is the InChIKey of 1-(3-methylbut-3-enyl)-2-propylbenzimidazole?
The InChIKey is RTGWNQGXCYCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-7-15-16-13-8-5-6-9-14(13)17(15)11-10-12(2)3/h5-6,8-9H,2,4,7,10-11H2,1,3H3.
What are the key properties of 1-(3-methylbut-3-enyl)-2-propylbenzimidazole?
1-(3-methylbut-3-enyl)-2-propylbenzimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-2-propylbenzimidazole is sourced from PubChem (CID 114476798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).