(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine

C21H29N3 — CID 7059784

IUPAC(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nc2ccccc2n1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29N3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-13-20-23-18-5-3-4-6-19(18)24(20)2/h3-6,14-17,22H,7-13H2,1-2H3/t14-,15?,16?,17?,21?/m1/s1
InChIKeyNBYVHZCBQXBVFZ-LFPRZYRFSA-N
MW323.48 g/mol
LogP4.27
Rot. Bonds4

About (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine

(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 7059784) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID7059784
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nc2ccccc2n1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29N3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-13-20-23-18-5-3-4-6-19(18)24(20)2/h3-6,14-17,22H,7-13H2,1-2H3/t14-,15?,16?,17?,21?/m1/s1
InChIKeyNBYVHZCBQXBVFZ-LFPRZYRFSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(1-methylbenzimidazol-2-yl)methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55408628
N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 50808151
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63001491
2-[[1-(1-adamantyl)ethylamino]methyl]aniline
CID 66387822
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (CID 7059784) is (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine is C[C@@H](NCc1nc2ccccc2n1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is NBYVHZCBQXBVFZ-LFPRZYRFSA-N. The full InChI is InChI=1S/C21H29N3/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-13-20-23-18-5-3-4-6-19(18)24(20)2/h3-6,14-17,22H,7-13H2,1-2H3/t14-,15?,16?,17?,21?/m1/s1.
What are the key properties of (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine?
(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 323.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 7059784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).