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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Related Compounds

1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
7-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
CID 55260500
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
methyl 3-(2-amino-7-chlorobenzimidazol-1-yl)propanoate
CID 61294077
7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 55097622
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419701
7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 63295616
N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide
CID 43662133
2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763412
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500

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).