N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide

C23H31N5O — CID 14851645

IUPACN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide
SMILESCc1cccc(C)c1N(CCCCCCn1ccnc1)C(=O)C(C)n1ccnc1
InChIInChI=1S/C23H31N5O/c1-19-9-8-10-20(2)22(19)28(23(29)21(3)27-16-12-25-18-27)14-7-5-4-6-13-26-15-11-24-17-26/h8-12,15-18,21H,4-7,13-14H2,1-3H3
InChIKeyDSOBMNZBIWEGKD-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.55
Rot. Bonds10

About N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide

N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide (PubChem CID 14851645) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide
PubChem CID14851645
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide
SMILESCc1cccc(C)c1N(CCCCCCn1ccnc1)C(=O)C(C)n1ccnc1
InChIInChI=1S/C23H31N5O/c1-19-9-8-10-20(2)22(19)28(23(29)21(3)27-16-12-25-18-27)14-7-5-4-6-13-26-15-11-24-17-26/h8-12,15-18,21H,4-7,13-14H2,1-3H3
InChIKeyDSOBMNZBIWEGKD-UHFFFAOYSA-N
XLogP4.55
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide (CID 14851645) is N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide is Cc1cccc(C)c1N(CCCCCCn1ccnc1)C(=O)C(C)n1ccnc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide?
The InChIKey is DSOBMNZBIWEGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-19-9-8-10-20(2)22(19)28(23(29)21(3)27-16-12-25-18-27)14-7-5-4-6-13-26-15-11-24-17-26/h8-12,15-18,21H,4-7,13-14H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide?
N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide has a molecular weight of 393.54 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide is sourced from PubChem (CID 14851645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).