2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine

C12H16ClN3 — CID 84629021

IUPAC2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine
SMILESCc1cc(Cl)cc2nc(C(C)(C)N)n(C)c12
InChIInChI=1S/C12H16ClN3/c1-7-5-8(13)6-9-10(7)16(4)11(15-9)12(2,3)14/h5-6H,14H2,1-4H3
InChIKeyOSQNURQEPODOQV-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.73
Rot. Bonds1

About 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine

2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine (PubChem CID 84629021) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine
PubChem CID84629021
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine
SMILESCc1cc(Cl)cc2nc(C(C)(C)N)n(C)c12
InChIInChI=1S/C12H16ClN3/c1-7-5-8(13)6-9-10(7)16(4)11(15-9)12(2,3)14/h5-6H,14H2,1-4H3
InChIKeyOSQNURQEPODOQV-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1,7-dimethylbenzimidazol-2-yl)hydrazine
CID 84621453
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642998
2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 83857842
2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
CID 81456064
2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84623361
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 61266514
2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84629014
5-chloro-1,7-dimethylindazole
CID 121266447
1-(5-chloro-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669270
7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 54058585
2,7-dichloro-3,5-dimethylquinazolin-4-one
CID 114693280

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine (CID 84629021) is 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine is Cc1cc(Cl)cc2nc(C(C)(C)N)n(C)c12.
What is the InChIKey of 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is OSQNURQEPODOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-7-5-8(13)6-9-10(7)16(4)11(15-9)12(2,3)14/h5-6H,14H2,1-4H3.
What are the key properties of 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine?
2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 237.73 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 84629021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).