(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

C20H38N6 — CID 118735460

IUPAC(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC[C@@H]1CN(CCCC[C@H]2CN=C(N)N2CC2CCCCC2)C(N)=N1
InChIInChI=1S/C20H38N6/c1-2-8-17-15-25(20(22)24-17)12-7-6-11-18-13-23-19(21)26(18)14-16-9-4-3-5-10-16/h16-18H,2-15H2,1H3,(H2,21,23)(H2,22,24)/t17-,18+/m1/s1
InChIKeyQDUBHFRNBXQMGQ-MSOLQXFVSA-N
MW362.57 g/mol
LogP2.53
Rot. Bonds9

About (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 118735460) has the molecular formula C20H38N6 and a molecular weight of 362.57 g/mol. Its IUPAC name is (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID118735460
Molecular FormulaC20H38N6
Molecular Weight362.57 g/mol
Exact Mass362.32
IUPAC Name(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC[C@@H]1CN(CCCC[C@H]2CN=C(N)N2CC2CCCCC2)C(N)=N1
InChIInChI=1S/C20H38N6/c1-2-8-17-15-25(20(22)24-17)12-7-6-11-18-13-23-19(21)26(18)14-16-9-4-3-5-10-16/h16-18H,2-15H2,1H3,(H2,21,23)(H2,22,24)/t17-,18+/m1/s1
InChIKeyQDUBHFRNBXQMGQ-MSOLQXFVSA-N
XLogP2.53
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (CID 118735460) is (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is CCC[C@@H]1CN(CCCC[C@H]2CN=C(N)N2CC2CCCCC2)C(N)=N1.
What is the InChIKey of (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is QDUBHFRNBXQMGQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H38N6/c1-2-8-17-15-25(20(22)24-17)12-7-6-11-18-13-23-19(21)26(18)14-16-9-4-3-5-10-16/h16-18H,2-15H2,1H3,(H2,21,23)(H2,22,24)/t17-,18+/m1/s1.
What are the key properties of (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 362.57 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[(4R)-2-amino-4-propyl-4,5-dihydroimidazol-1-yl]butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 118735460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).