N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide

C20H23N3O2 — CID 109388365

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC(CO)N(C)C(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(14-24)22(2)20(25)13-12-19-21-17-10-6-7-11-18(17)23(19)16-8-4-3-5-9-16/h3-11,15,24H,12-14H2,1-2H3
InChIKeyLGUQQUDUKKJJQV-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.80
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide

N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 109388365) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID109388365
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC(CO)N(C)C(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(14-24)22(2)20(25)13-12-19-21-17-10-6-7-11-18(17)23(19)16-8-4-3-5-9-16/h3-11,15,24H,12-14H2,1-2H3
InChIKeyLGUQQUDUKKJJQV-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
CID 119206156
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 112794338
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 56534481
1-phenyl-2-tridecylbenzimidazole
CID 24821367
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55524175
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 109388365) is N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide is CC(CO)N(C)C(=O)CCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is LGUQQUDUKKJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(14-24)22(2)20(25)13-12-19-21-17-10-6-7-11-18(17)23(19)16-8-4-3-5-9-16/h3-11,15,24H,12-14H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 109388365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).