7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine

C12H16ClN3O — CID 104763128

IUPAC7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCC(C)OCCn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H16ClN3O/c1-8(2)17-7-6-16-11-9(13)4-3-5-10(11)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15)
InChIKeyQSGCCCOFPIGRDZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.70
Rot. Bonds4

About 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine

7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (PubChem CID 104763128) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
PubChem CID104763128
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCC(C)OCCn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H16ClN3O/c1-8(2)17-7-6-16-11-9(13)4-3-5-10(11)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15)
InChIKeyQSGCCCOFPIGRDZ-UHFFFAOYSA-N
XLogP2.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (CID 104763128) is 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is CC(C)OCCn1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The InChIKey is QSGCCCOFPIGRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8(2)17-7-6-16-11-9(13)4-3-5-10(11)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine has a molecular weight of 253.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is sourced from PubChem (CID 104763128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).