6-(1-tert-butylcyclopropyl)-1H-benzimidazole

C14H18N2 — CID 118329254

IUPAC6-(1-tert-butylcyclopropyl)-1H-benzimidazole
SMILESCC(C)(C)C1(c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H18N2/c1-13(2,3)14(6-7-14)10-4-5-11-12(8-10)16-9-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyAGQVVKGGAUDNHA-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.64
Rot. Bonds1

About 6-(1-tert-butylcyclopropyl)-1H-benzimidazole

6-(1-tert-butylcyclopropyl)-1H-benzimidazole (PubChem CID 118329254) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-(1-tert-butylcyclopropyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(1-tert-butylcyclopropyl)-1H-benzimidazole
PubChem CID118329254
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name6-(1-tert-butylcyclopropyl)-1H-benzimidazole
SMILESCC(C)(C)C1(c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H18N2/c1-13(2,3)14(6-7-14)10-4-5-11-12(8-10)16-9-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyAGQVVKGGAUDNHA-UHFFFAOYSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1-tert-butylcyclopropyl)-1H-benzimidazole?
The IUPAC name of 6-(1-tert-butylcyclopropyl)-1H-benzimidazole (CID 118329254) is 6-(1-tert-butylcyclopropyl)-1H-benzimidazole.
What is the SMILES notation for 6-(1-tert-butylcyclopropyl)-1H-benzimidazole?
The canonical SMILES for 6-(1-tert-butylcyclopropyl)-1H-benzimidazole is CC(C)(C)C1(c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 6-(1-tert-butylcyclopropyl)-1H-benzimidazole?
The InChIKey is AGQVVKGGAUDNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-13(2,3)14(6-7-14)10-4-5-11-12(8-10)16-9-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 6-(1-tert-butylcyclopropyl)-1H-benzimidazole?
6-(1-tert-butylcyclopropyl)-1H-benzimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-tert-butylcyclopropyl)-1H-benzimidazole is sourced from PubChem (CID 118329254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).