4-chloro-6-propan-2-yl-1H-benzimidazole

C10H11ClN2 — CID 137430140

IUPAC4-chloro-6-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C10H11ClN2/c1-6(2)7-3-8(11)10-9(4-7)12-5-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyDWRZYRXRHJUAFM-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.34
Rot. Bonds1

About 4-chloro-6-propan-2-yl-1H-benzimidazole

4-chloro-6-propan-2-yl-1H-benzimidazole (PubChem CID 137430140) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-1H-benzimidazole
PubChem CID137430140
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name4-chloro-6-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1cc(Cl)c2nc[nH]c2c1
InChIInChI=1S/C10H11ClN2/c1-6(2)7-3-8(11)10-9(4-7)12-5-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyDWRZYRXRHJUAFM-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-1H-benzimidazole?
The IUPAC name of 4-chloro-6-propan-2-yl-1H-benzimidazole (CID 137430140) is 4-chloro-6-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 4-chloro-6-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 4-chloro-6-propan-2-yl-1H-benzimidazole is CC(C)c1cc(Cl)c2nc[nH]c2c1.
What is the InChIKey of 4-chloro-6-propan-2-yl-1H-benzimidazole?
The InChIKey is DWRZYRXRHJUAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6(2)7-3-8(11)10-9(4-7)12-5-13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-chloro-6-propan-2-yl-1H-benzimidazole?
4-chloro-6-propan-2-yl-1H-benzimidazole has a molecular weight of 194.66 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 137430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).