3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C18H23N5O3 — CID 125172081

IUPAC3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)c1noc([C@H](C)NC(=O)CCn2c(CO)nc3ccccc32)n1
InChIInChI=1S/C18H23N5O3/c1-11(2)17-21-18(26-22-17)12(3)19-16(25)8-9-23-14-7-5-4-6-13(14)20-15(23)10-24/h4-7,11-12,24H,8-10H2,1-3H3,(H,19,25)/t12-/m0/s1
InChIKeyONSICWXPBBVRAF-LBPRGKRZSA-N
MW357.41 g/mol
LogP2.30
Rot. Bonds7

About 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 125172081) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID125172081
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)c1noc([C@H](C)NC(=O)CCn2c(CO)nc3ccccc32)n1
InChIInChI=1S/C18H23N5O3/c1-11(2)17-21-18(26-22-17)12(3)19-16(25)8-9-23-14-7-5-4-6-13(14)20-15(23)10-24/h4-7,11-12,24H,8-10H2,1-3H3,(H,19,25)/t12-/m0/s1
InChIKeyONSICWXPBBVRAF-LBPRGKRZSA-N
XLogP2.30
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 126446389
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 72875649
3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide
CID 119062430
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 125176743
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
3-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 126453180
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 74249134
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide
CID 146042378
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 125172081) is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(C)c1noc([C@H](C)NC(=O)CCn2c(CO)nc3ccccc32)n1.
What is the InChIKey of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is ONSICWXPBBVRAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(2)17-21-18(26-22-17)12(3)19-16(25)8-9-23-14-7-5-4-6-13(14)20-15(23)10-24/h4-7,11-12,24H,8-10H2,1-3H3,(H,19,25)/t12-/m0/s1.
What are the key properties of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 125172081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).