(4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine

C20H40N6 — CID 176518643

IUPAC(4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine
SMILES[H]/N=C1\NC[C@H](CCCCN2C[C@@H](CCC)N=C2N)N1CCCCCCC
InChIInChI=1S/C20H40N6/c1-3-5-6-7-9-14-26-18(15-23-19(26)21)12-8-10-13-25-16-17(11-4-2)24-20(25)22/h17-18H,3-16H2,1-2H3,(H2,21,23)(H2,22,24)/t17-,18+/m1/s1
InChIKeyLCFRTZBAWQDNQL-MSOLQXFVSA-N
MW364.58 g/mol
LogP3.13
Rot. Bonds13

About (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine

(4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 176518643) has the molecular formula C20H40N6 and a molecular weight of 364.58 g/mol. Its IUPAC name is (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine
PubChem CID176518643
Molecular FormulaC20H40N6
Molecular Weight364.58 g/mol
Exact Mass364.33
IUPAC Name(4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine
SMILES[H]/N=C1\NC[C@H](CCCCN2C[C@@H](CCC)N=C2N)N1CCCCCCC
InChIInChI=1S/C20H40N6/c1-3-5-6-7-9-14-26-18(15-23-19(26)21)12-8-10-13-25-16-17(11-4-2)24-20(25)22/h17-18H,3-16H2,1-2H3,(H2,21,23)(H2,22,24)/t17-,18+/m1/s1
InChIKeyLCFRTZBAWQDNQL-MSOLQXFVSA-N
XLogP3.13
TPSA80.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-[4-[(4S)-3-(4-cyclohexylbutyl)-2-iminoimidazolidin-4-yl]butyl]-4-(cyclohexylmethyl)-3-heptylimidazolidin-2-imine;sulfane
CID 176535556
(4S)-4-butyl-1-[4-[(4S)-3-[4-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)butyl]-2-iminoimidazolidin-4-yl]butyl]-3-heptylimidazolidin-2-imine
CID 176518921
(4S)-1-[4-[(4S)-3-(4-cyclohexylbutyl)-2-iminoimidazolidin-4-yl]butyl]-3-heptyl-4-[(3-methylcyclohexyl)methyl]imidazolidin-2-imine
CID 176526870
1-heptyl-5-[4-[2-imino-3-[2-(3-methylphenyl)ethyl]-4-propylimidazolidin-1-yl]butyl]-4,5-dihydroimidazol-2-amine
CID 123613214
1-butyl-4-methyl-4,5-dihydroimidazol-2-amine
CID 45088430
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
(5S)-5-[4-[4-butan-2-yl-2-imino-3-[2-(3-methylphenyl)ethyl]imidazolidin-1-yl]butyl]-1-heptyl-4,5-dihydroimidazol-2-amine
CID 126669561
2-decylaziridine-1-carboxamide
CID 175486597
(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine
CID 23640806
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
2-ethyl-1-pentyl-4,5-dihydroimidazol-4-amine
CID 174534223

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine (CID 176518643) is (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine is [H]/N=C1\NC[C@H](CCCCN2C[C@@H](CCC)N=C2N)N1CCCCCCC.
What is the InChIKey of (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LCFRTZBAWQDNQL-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H40N6/c1-3-5-6-7-9-14-26-18(15-23-19(26)21)12-8-10-13-25-16-17(11-4-2)24-20(25)22/h17-18H,3-16H2,1-2H3,(H2,21,23)(H2,22,24)/t17-,18+/m1/s1.
What are the key properties of (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine?
(4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 364.58 g/mol, XLogP of 3.13, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[4-[(4S)-3-heptyl-2-iminoimidazolidin-4-yl]butyl]-4-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 176518643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).