2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole

C10H15ClN2 — CID 30033073

IUPAC2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCC(C)n1c(Cl)nc2c1CCCC2
InChIInChI=1S/C10H15ClN2/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h7H,3-6H2,1-2H3
InChIKeyHICYLIQGBVFHQW-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.00
Rot. Bonds1

About 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole

2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 30033073) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID30033073
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCC(C)n1c(Cl)nc2c1CCCC2
InChIInChI=1S/C10H15ClN2/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h7H,3-6H2,1-2H3
InChIKeyHICYLIQGBVFHQW-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole (CID 30033073) is 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole is CC(C)n1c(Cl)nc2c1CCCC2.
What is the InChIKey of 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is HICYLIQGBVFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole?
2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 198.70 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 30033073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).