N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide

C18H25N3O4 — CID 155996062

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide
SMILESCCn1c(CCCC(=O)N[C@@H]2COC[C@@H](O)[C@H]2O)nc2ccccc21
InChIInChI=1S/C18H25N3O4/c1-2-21-14-7-4-3-6-12(14)19-16(21)8-5-9-17(23)20-13-10-25-11-15(22)18(13)24/h3-4,6-7,13,15,18,22,24H,2,5,8-11H2,1H3,(H,20,23)/t13-,15-,18+/m1/s1
InChIKeyHABJOOKUEGIIOF-SIIHOXLZSA-N
MW347.42 g/mol
LogP0.62
Rot. Bonds6

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide (PubChem CID 155996062) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide
PubChem CID155996062
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide
SMILESCCn1c(CCCC(=O)N[C@@H]2COC[C@@H](O)[C@H]2O)nc2ccccc21
InChIInChI=1S/C18H25N3O4/c1-2-21-14-7-4-3-6-12(14)19-16(21)8-5-9-17(23)20-13-10-25-11-15(22)18(13)24/h3-4,6-7,13,15,18,22,24H,2,5,8-11H2,1H3,(H,20,23)/t13-,15-,18+/m1/s1
InChIKeyHABJOOKUEGIIOF-SIIHOXLZSA-N
XLogP0.62
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135091628
(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
CID 133123786
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
1-ethyl-2-pentylbenzimidazole
CID 3463966
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 135111853
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide (CID 155996062) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide is CCn1c(CCCC(=O)N[C@@H]2COC[C@@H](O)[C@H]2O)nc2ccccc21.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide?
The InChIKey is HABJOOKUEGIIOF-SIIHOXLZSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-21-14-7-4-3-6-12(14)19-16(21)8-5-9-17(23)20-13-10-25-11-15(22)18(13)24/h3-4,6-7,13,15,18,22,24H,2,5,8-11H2,1H3,(H,20,23)/t13-,15-,18+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide has a molecular weight of 347.42 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 155996062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).