1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine

C15H20ClN3 — CID 54920072

IUPAC1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)13(17)14-18-11-6-4-5-10(16)12(11)19(14)9-7-8-9/h4-6,9,13H,7-8,17H2,1-3H3
InChIKeyODFWUHGCSKPQQS-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.07
Rot. Bonds2

About 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine

1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 54920072) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID54920072
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)13(17)14-18-11-6-4-5-10(16)12(11)19(14)9-7-8-9/h4-6,9,13H,7-8,17H2,1-3H3
InChIKeyODFWUHGCSKPQQS-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine (CID 54920072) is 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1nc2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is ODFWUHGCSKPQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-15(2,3)13(17)14-18-11-6-4-5-10(16)12(11)19(14)9-7-8-9/h4-6,9,13H,7-8,17H2,1-3H3.
What are the key properties of 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine?
1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 54920072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).