3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine

C13H16ClN3 — CID 60785360

IUPAC3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
SMILESNCCCc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C13H16ClN3/c14-9-3-6-12-11(8-9)16-13(2-1-7-15)17(12)10-4-5-10/h3,6,8,10H,1-2,4-5,7,15H2
InChIKeyUIBCAMGIHJXXEQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.92
Rot. Bonds4

About 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine (PubChem CID 60785360) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
PubChem CID60785360
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
SMILESNCCCc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C13H16ClN3/c14-9-3-6-12-11(8-9)16-13(2-1-7-15)17(12)10-4-5-10/h3,6,8,10H,1-2,4-5,7,15H2
InChIKeyUIBCAMGIHJXXEQ-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
CID 66003739
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
CID 118114327
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467
1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827796
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 60808589
2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66379416
5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667410
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine (CID 60785360) is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine is NCCCc1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is UIBCAMGIHJXXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c14-9-3-6-12-11(8-9)16-13(2-1-7-15)17(12)10-4-5-10/h3,6,8,10H,1-2,4-5,7,15H2.
What are the key properties of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine?
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 60785360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).