N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

C30H34N4O2 — CID 37424907

IUPACN-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C30H34N4O2/c35-28(32-17-21-1-3-23(4-2-21)19-34-10-9-31-20-34)27-7-5-22(6-8-27)18-33-29(36)30-14-24-11-25(15-30)13-26(12-24)16-30/h1-10,20,24-26H,11-19H2,(H,32,35)(H,33,36)
InChIKeyGXIGCMVSKNKYFF-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.69
Rot. Bonds8

About N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 37424907) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID37424907
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C30H34N4O2/c35-28(32-17-21-1-3-23(4-2-21)19-34-10-9-31-20-34)27-7-5-22(6-8-27)18-33-29(36)30-14-24-11-25(15-30)13-26(12-24)16-30/h1-10,20,24-26H,11-19H2,(H,32,35)(H,33,36)
InChIKeyGXIGCMVSKNKYFF-UHFFFAOYSA-N
XLogP4.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (CID 37424907) is N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is GXIGCMVSKNKYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c35-28(32-17-21-1-3-23(4-2-21)19-34-10-9-31-20-34)27-7-5-22(6-8-27)18-33-29(36)30-14-24-11-25(15-30)13-26(12-24)16-30/h1-10,20,24-26H,11-19H2,(H,32,35)(H,33,36).
What are the key properties of N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 37424907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).