N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride

C20H27ClN4O — CID 2838622

IUPACN-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\n(C)c2ccccc2n1CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26N4O.ClH/c1-23-16-4-2-3-5-17(16)24(20(23)21)11-18(25)22-19-14-7-12-6-13(9-14)10-15(19)8-12;/h2-5,12-15,19,21H,6-11H2,1H3,(H,22,25);1H/b21-20+;
InChIKeyXROPVWNGLLKOQF-ANVLNOONSA-N
MW374.92 g/mol
LogP2.82
Rot. Bonds3

About N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride

N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride (PubChem CID 2838622) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride
PubChem CID2838622
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\n(C)c2ccccc2n1CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H26N4O.ClH/c1-23-16-4-2-3-5-17(16)24(20(23)21)11-18(25)22-19-14-7-12-6-13(9-14)10-15(19)8-12;/h2-5,12-15,19,21H,6-11H2,1H3,(H,22,25);1H/b21-20+;
InChIKeyXROPVWNGLLKOQF-ANVLNOONSA-N
XLogP2.82
TPSA62.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride (CID 2838622) is N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride is Cl.[H]/N=c1\n(C)c2ccccc2n1CC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride?
The InChIKey is XROPVWNGLLKOQF-ANVLNOONSA-N. The full InChI is InChI=1S/C20H26N4O.ClH/c1-23-16-4-2-3-5-17(16)24(20(23)21)11-18(25)22-19-14-7-12-6-13(9-14)10-15(19)8-12;/h2-5,12-15,19,21H,6-11H2,1H3,(H,22,25);1H/b21-20+;.
What are the key properties of N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride?
N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride has a molecular weight of 374.92 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 2838622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).