N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride

C19H30ClN3 — CID 142678941

IUPACN-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride
SMILESCCC(C)(C)n1cnc2cc(NCC3CCCCC3)ccc21.Cl
InChIInChI=1S/C19H29N3.ClH/c1-4-19(2,3)22-14-21-17-12-16(10-11-18(17)22)20-13-15-8-6-5-7-9-15;/h10-12,14-15,20H,4-9,13H2,1-3H3;1H
InChIKeyWSZRQIVJWRDEHA-UHFFFAOYSA-N
MW335.92 g/mol
LogP5.60
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride

N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride (PubChem CID 142678941) has the molecular formula C19H30ClN3 and a molecular weight of 335.92 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride
PubChem CID142678941
Molecular FormulaC19H30ClN3
Molecular Weight335.92 g/mol
Exact Mass335.21
IUPAC NameN-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride
SMILESCCC(C)(C)n1cnc2cc(NCC3CCCCC3)ccc21.Cl
InChIInChI=1S/C19H29N3.ClH/c1-4-19(2,3)22-14-21-17-12-16(10-11-18(17)22)20-13-15-8-6-5-7-9-15;/h10-12,14-15,20H,4-9,13H2,1-3H3;1H
InChIKeyWSZRQIVJWRDEHA-UHFFFAOYSA-N
XLogP5.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride (CID 142678941) is N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride is CCC(C)(C)n1cnc2cc(NCC3CCCCC3)ccc21.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride?
The InChIKey is WSZRQIVJWRDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3.ClH/c1-4-19(2,3)22-14-21-17-12-16(10-11-18(17)22)20-13-15-8-6-5-7-9-15;/h10-12,14-15,20H,4-9,13H2,1-3H3;1H.
What are the key properties of N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride?
N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride has a molecular weight of 335.92 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(2-methylbutan-2-yl)benzimidazol-5-amine;hydrochloride is sourced from PubChem (CID 142678941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).