6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine

C14H16ClN3 — CID 113316180

IUPAC6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1C(C1CC1)C1CC1
InChIInChI=1S/C14H16ClN3/c15-10-5-6-11-12(7-10)18(14(16)17-11)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H2,16,17)
InChIKeyAXWYINWXWMDLHN-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.63
Rot. Bonds3

About 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine

6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine (PubChem CID 113316180) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
PubChem CID113316180
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1C(C1CC1)C1CC1
InChIInChI=1S/C14H16ClN3/c15-10-5-6-11-12(7-10)18(14(16)17-11)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H2,16,17)
InChIKeyAXWYINWXWMDLHN-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 115471255
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
6-chloro-1-(2,6-dimethylpiperidin-1-yl)benzimidazol-2-amine
CID 83018887
4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113459022
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470510
5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
CID 63546409
6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115470575
6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
CID 106216801
6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 65346411
6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728094
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
CID 62376179

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine (CID 113316180) is 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1C(C1CC1)C1CC1.
What is the InChIKey of 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
The InChIKey is AXWYINWXWMDLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-10-5-6-11-12(7-10)18(14(16)17-11)13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H2,16,17).
What are the key properties of 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 113316180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).