N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

C16H21N3O3 — CID 111486100

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3(O)CCOCC3)ccc2n1C
InChIInChI=1S/C16H21N3O3/c1-11-18-13-9-12(3-4-14(13)19(11)2)15(20)17-10-16(21)5-7-22-8-6-16/h3-4,9,21H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyUPQYKTZLLXAGSA-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.15
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 111486100) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID111486100
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3(O)CCOCC3)ccc2n1C
InChIInChI=1S/C16H21N3O3/c1-11-18-13-9-12(3-4-14(13)19(11)2)15(20)17-10-16(21)5-7-22-8-6-16/h3-4,9,21H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyUPQYKTZLLXAGSA-UHFFFAOYSA-N
XLogP1.15
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922620
N-[2-cyclopropyl-2-[(1,2-dimethylbenzimidazole-5-carbonyl)amino]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 60613963
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
N-[(4-hydroxyoxan-4-yl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103712064
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 47088894
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 111486100) is N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCC3(O)CCOCC3)ccc2n1C.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is UPQYKTZLLXAGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-18-13-9-12(3-4-14(13)19(11)2)15(20)17-10-16(21)5-7-22-8-6-16/h3-4,9,21H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 111486100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).