6-pentyl-1H-benzimidazole

C12H16N2 — CID 58767911

IUPAC6-pentyl-1H-benzimidazole
SMILESCCCCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-2-3-4-5-10-6-7-11-12(8-10)14-9-13-11/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyTVMPLXPPESHIEQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.30
Rot. Bonds4

About 6-pentyl-1H-benzimidazole

6-pentyl-1H-benzimidazole (PubChem CID 58767911) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-pentyl-1H-benzimidazole.

Molecular Properties

Compound Name6-pentyl-1H-benzimidazole
PubChem CID58767911
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-pentyl-1H-benzimidazole
SMILESCCCCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-2-3-4-5-10-6-7-11-12(8-10)14-9-13-11/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyTVMPLXPPESHIEQ-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-(3H-benzimidazol-5-yl)pentan-2-amine
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6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
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CID 115132184
4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
CID 170870089
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-1H-benzimidazole?
The IUPAC name of 6-pentyl-1H-benzimidazole (CID 58767911) is 6-pentyl-1H-benzimidazole.
What is the SMILES notation for 6-pentyl-1H-benzimidazole?
The canonical SMILES for 6-pentyl-1H-benzimidazole is CCCCCc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-pentyl-1H-benzimidazole?
The InChIKey is TVMPLXPPESHIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-3-4-5-10-6-7-11-12(8-10)14-9-13-11/h6-9H,2-5H2,1H3,(H,13,14).
What are the key properties of 6-pentyl-1H-benzimidazole?
6-pentyl-1H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-1H-benzimidazole is sourced from PubChem (CID 58767911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).