(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine

C19H29N3 — CID 25102546

IUPAC(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCN(C)C1=NC[C@H](Cc2ccccc2)N1CC1CCCCC1
InChIInChI=1S/C19H29N3/c1-21(2)19-20-14-18(13-16-9-5-3-6-10-16)22(19)15-17-11-7-4-8-12-17/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t18-/m0/s1
InChIKeySCDHTBALMPZPAF-SFHVURJKSA-N
MW299.46 g/mol
LogP3.41
Rot. Bonds4

About (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102546) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102546
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCN(C)C1=NC[C@H](Cc2ccccc2)N1CC1CCCCC1
InChIInChI=1S/C19H29N3/c1-21(2)19-20-14-18(13-16-9-5-3-6-10-16)22(19)15-17-11-7-4-8-12-17/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t18-/m0/s1
InChIKeySCDHTBALMPZPAF-SFHVURJKSA-N
XLogP3.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine (CID 25102546) is (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine is CN(C)C1=NC[C@H](Cc2ccccc2)N1CC1CCCCC1.
What is the InChIKey of (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is SCDHTBALMPZPAF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3/c1-21(2)19-20-14-18(13-16-9-5-3-6-10-16)22(19)15-17-11-7-4-8-12-17/h3,5-6,9-10,17-18H,4,7-8,11-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 299.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).