1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea

C26H44N8O2 — CID 176741998

IUPAC1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea
SMILESO=C(NC1CCC(C2=NCCN2)CC1)NC1CCCC(NC(=O)NC2CCCC(C3=NCCN3)C2)C1
InChIInChI=1S/C26H44N8O2/c35-25(31-19-9-7-17(8-10-19)23-27-11-12-28-23)33-21-5-2-6-22(16-21)34-26(36)32-20-4-1-3-18(15-20)24-29-13-14-30-24/h17-22H,1-16H2,(H,27,28)(H,29,30)(H2,31,33,35)(H2,32,34,36)
InChIKeyJLHKSUQZFXRLLN-UHFFFAOYSA-N
MW500.69 g/mol
LogP2.02
Rot. Bonds6

About 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea

1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea (PubChem CID 176741998) has the molecular formula C26H44N8O2 and a molecular weight of 500.69 g/mol. Its IUPAC name is 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea.

Molecular Properties

Compound Name1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea
PubChem CID176741998
Molecular FormulaC26H44N8O2
Molecular Weight500.69 g/mol
Exact Mass500.36
IUPAC Name1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea
SMILESO=C(NC1CCC(C2=NCCN2)CC1)NC1CCCC(NC(=O)NC2CCCC(C3=NCCN3)C2)C1
InChIInChI=1S/C26H44N8O2/c35-25(31-19-9-7-17(8-10-19)23-27-11-12-28-23)33-21-5-2-6-22(16-21)34-26(36)32-20-4-1-3-18(15-20)24-29-13-14-30-24/h17-22H,1-16H2,(H,27,28)(H,29,30)(H2,31,33,35)(H2,32,34,36)
InChIKeyJLHKSUQZFXRLLN-UHFFFAOYSA-N
XLogP2.02
TPSA131.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 52.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea?
The IUPAC name of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea (CID 176741998) is 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea.
What is the SMILES notation for 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea?
The canonical SMILES for 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea is O=C(NC1CCC(C2=NCCN2)CC1)NC1CCCC(NC(=O)NC2CCCC(C3=NCCN3)C2)C1.
What is the InChIKey of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea?
The InChIKey is JLHKSUQZFXRLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N8O2/c35-25(31-19-9-7-17(8-10-19)23-27-11-12-28-23)33-21-5-2-6-22(16-21)34-26(36)32-20-4-1-3-18(15-20)24-29-13-14-30-24/h17-22H,1-16H2,(H,27,28)(H,29,30)(H2,31,33,35)(H2,32,34,36).
What are the key properties of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea?
1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea has a molecular weight of 500.69 g/mol, XLogP of 2.02, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea is sourced from PubChem (CID 176741998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).