N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C28H41N5O2 — CID 58994337

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)(C)NCCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C28H41N5O2/c1-20-19-29-25(31-20)26(34)32-24-7-6-22(18-23(24)21-8-10-27(2,3)11-9-21)28(4,5)30-12-13-33-14-16-35-17-15-33/h6-8,18-19,30H,9-17H2,1-5H3,(H,29,31)(H,32,34)
InChIKeyKBAQYGKQOLAOEV-UHFFFAOYSA-N
MW479.67 g/mol
LogP4.72
Rot. Bonds8

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 58994337) has the molecular formula C28H41N5O2 and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID58994337
Molecular FormulaC28H41N5O2
Molecular Weight479.67 g/mol
Exact Mass479.33
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)(C)NCCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C28H41N5O2/c1-20-19-29-25(31-20)26(34)32-24-7-6-22(18-23(24)21-8-10-27(2,3)11-9-21)28(4,5)30-12-13-33-14-16-35-17-15-33/h6-8,18-19,30H,9-17H2,1-5H3,(H,29,31)(H,32,34)
InChIKeyKBAQYGKQOLAOEV-UHFFFAOYSA-N
XLogP4.72
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 58994337) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is KBAQYGKQOLAOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O2/c1-20-19-29-25(31-20)26(34)32-24-7-6-22(18-23(24)21-8-10-27(2,3)11-9-21)28(4,5)30-12-13-33-14-16-35-17-15-33/h6-8,18-19,30H,9-17H2,1-5H3,(H,29,31)(H,32,34).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 479.67 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 58994337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).