2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole

C16H23BrN2 — CID 79751264

IUPAC2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
SMILESCCCn1c(CC(C)CC(C)Br)nc2ccccc21
InChIInChI=1S/C16H23BrN2/c1-4-9-19-15-8-6-5-7-14(15)18-16(19)11-12(2)10-13(3)17/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyDXNHMYPLLMAOHL-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.80
Rot. Bonds6

About 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole

2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole (PubChem CID 79751264) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
PubChem CID79751264
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
SMILESCCCn1c(CC(C)CC(C)Br)nc2ccccc21
InChIInChI=1S/C16H23BrN2/c1-4-9-19-15-8-6-5-7-14(15)18-16(19)11-12(2)10-13(3)17/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyDXNHMYPLLMAOHL-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole?
The IUPAC name of 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole (CID 79751264) is 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole?
The canonical SMILES for 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole is CCCn1c(CC(C)CC(C)Br)nc2ccccc21.
What is the InChIKey of 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole?
The InChIKey is DXNHMYPLLMAOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-4-9-19-15-8-6-5-7-14(15)18-16(19)11-12(2)10-13(3)17/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole?
2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole has a molecular weight of 323.28 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole is sourced from PubChem (CID 79751264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).