N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide

C16H23N3O3 — CID 154843835

IUPACN-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
SMILESCc1ccc2c(c1)nc(CCNC(=O)C(O)C(C)(C)O)n2C
InChIInChI=1S/C16H23N3O3/c1-10-5-6-12-11(9-10)18-13(19(12)4)7-8-17-15(21)14(20)16(2,3)22/h5-6,9,14,20,22H,7-8H2,1-4H3,(H,17,21)
InChIKeyPBUCELQYEHTPNO-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.67
Rot. Bonds5

About N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide

N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide (PubChem CID 154843835) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
PubChem CID154843835
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
SMILESCc1ccc2c(c1)nc(CCNC(=O)C(O)C(C)(C)O)n2C
InChIInChI=1S/C16H23N3O3/c1-10-5-6-12-11(9-10)18-13(19(12)4)7-8-17-15(21)14(20)16(2,3)22/h5-6,9,14,20,22H,7-8H2,1-4H3,(H,17,21)
InChIKeyPBUCELQYEHTPNO-UHFFFAOYSA-N
XLogP0.67
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
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CID 82333350
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 119052037
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 91198875
N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]acetamide
CID 1248032
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide?
The IUPAC name of N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide (CID 154843835) is N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide.
What is the SMILES notation for N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide?
The canonical SMILES for N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide is Cc1ccc2c(c1)nc(CCNC(=O)C(O)C(C)(C)O)n2C.
What is the InChIKey of N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide?
The InChIKey is PBUCELQYEHTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-5-6-12-11(9-10)18-13(19(12)4)7-8-17-15(21)14(20)16(2,3)22/h5-6,9,14,20,22H,7-8H2,1-4H3,(H,17,21).
What are the key properties of N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide?
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide has a molecular weight of 305.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide is sourced from PubChem (CID 154843835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).