N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

C21H25N3O2 — CID 95872440

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2/c1-14(19-23-17-6-4-5-7-18(17)24-19)22-20(25)16-10-8-15(9-11-16)12-13-21(2,3)26/h4-11,14,26H,12-13H2,1-3H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyBGLYLSFHYXVNFZ-CQSZACIVSA-N
MW351.45 g/mol
LogP3.76
Rot. Bonds6

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 95872440) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID95872440
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2/c1-14(19-23-17-6-4-5-7-18(17)24-19)22-20(25)16-10-8-15(9-11-16)12-13-21(2,3)26/h4-11,14,26H,12-13H2,1-3H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyBGLYLSFHYXVNFZ-CQSZACIVSA-N
XLogP3.76
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
CID 60509484
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 134032924
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
4-(3-hydroxy-3-methylbutyl)-N-[1-(4-hydroxyphenyl)ethyl]benzamide
CID 70724944
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (CID 95872440) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is BGLYLSFHYXVNFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(19-23-17-6-4-5-7-18(17)24-19)22-20(25)16-10-8-15(9-11-16)12-13-21(2,3)26/h4-11,14,26H,12-13H2,1-3H3,(H,22,25)(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 95872440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).