N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

C29H34N4O2 — CID 55408744

IUPACN-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCCn1c(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nc2ccccc21
InChIInChI=1S/C29H34N4O2/c1-2-33-25-6-4-3-5-24(25)32-26(33)18-30-27(34)23-9-7-19(8-10-23)17-31-28(35)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,20-22H,2,11-18H2,1H3,(H,30,34)(H,31,35)
InChIKeyKJYRVXXTCJIMIT-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.82
Rot. Bonds7

About N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 55408744) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID55408744
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCCn1c(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nc2ccccc21
InChIInChI=1S/C29H34N4O2/c1-2-33-25-6-4-3-5-24(25)32-26(33)18-30-27(34)23-9-7-19(8-10-23)17-31-28(35)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,20-22H,2,11-18H2,1H3,(H,30,34)(H,31,35)
InChIKeyKJYRVXXTCJIMIT-UHFFFAOYSA-N
XLogP4.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 24549089
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 39969798
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[2-[(1-methylbenzimidazol-2-yl)methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55408628
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 46612410
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 47012382
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 90650149
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (CID 55408744) is N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is CCn1c(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nc2ccccc21.
What is the InChIKey of N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is KJYRVXXTCJIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-2-33-25-6-4-3-5-24(25)32-26(33)18-30-27(34)23-9-7-19(8-10-23)17-31-28(35)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,20-22H,2,11-18H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 55408744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).