1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine

C15H20ClN3 — CID 115473211

IUPAC1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-9(2)7-12(17)15-18-13-6-3-10(16)8-14(13)19(15)11-4-5-11/h3,6,8-9,11-12H,4-5,7,17H2,1-2H3
InChIKeyALPLWOWDDJHFJD-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.07
Rot. Bonds4

About 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine

1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 115473211) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID115473211
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-9(2)7-12(17)15-18-13-6-3-10(16)8-14(13)19(15)11-4-5-11/h3,6,8-9,11-12H,4-5,7,17H2,1-2H3
InChIKeyALPLWOWDDJHFJD-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine (CID 115473211) is 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is ALPLWOWDDJHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-9(2)7-12(17)15-18-13-6-3-10(16)8-14(13)19(15)11-4-5-11/h3,6,8-9,11-12H,4-5,7,17H2,1-2H3.
What are the key properties of 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine?
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 115473211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).