(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

C16H21N3O2 — CID 124590456

IUPAC(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCn1c(CCNC(=O)[C@@]2(C)CCCO2)nc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-16(9-5-11-21-16)15(20)17-10-8-14-18-12-6-3-4-7-13(12)19(14)2/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)/t16-/m1/s1
InChIKeyJSUODQVZVVPBIO-MRXNPFEDSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds4

About (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 124590456) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID124590456
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCn1c(CCNC(=O)[C@@]2(C)CCCO2)nc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-16(9-5-11-21-16)15(20)17-10-8-14-18-12-6-3-4-7-13(12)19(14)2/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)/t16-/m1/s1
InChIKeyJSUODQVZVVPBIO-MRXNPFEDSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 132779946
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72927891
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 129455798
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
CID 118790225
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (CID 124590456) is (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is Cn1c(CCNC(=O)[C@@]2(C)CCCO2)nc2ccccc21.
What is the InChIKey of (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is JSUODQVZVVPBIO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(9-5-11-21-16)15(20)17-10-8-14-18-12-6-3-4-7-13(12)19(14)2/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 124590456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).