(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide

C14H16BrN3O2 — CID 124516272

IUPAC(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1c(NC(=O)[C@@H]2CCOC2)nc2ccc(Br)cc21
InChIInChI=1S/C14H16BrN3O2/c1-2-18-12-7-10(15)3-4-11(12)16-14(18)17-13(19)9-5-6-20-8-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,19)/t9-/m1/s1
InChIKeyGYLANHLTJKQVEW-SECBINFHSA-N
MW338.21 g/mol
LogP2.79
Rot. Bonds3

About (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide

(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 124516272) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide
PubChem CID124516272
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide
SMILESCCn1c(NC(=O)[C@@H]2CCOC2)nc2ccc(Br)cc21
InChIInChI=1S/C14H16BrN3O2/c1-2-18-12-7-10(15)3-4-11(12)16-14(18)17-13(19)9-5-6-20-8-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,19)/t9-/m1/s1
InChIKeyGYLANHLTJKQVEW-SECBINFHSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide
CID 75515211
(6-bromo-1-methylbenzimidazol-2-yl)-(oxolan-3-yl)methanone
CID 166644519
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
(6-bromo-1-ethylbenzimidazol-2-yl)methanol
CID 67247825
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
CID 71983580
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide (CID 124516272) is (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide is CCn1c(NC(=O)[C@@H]2CCOC2)nc2ccc(Br)cc21.
What is the InChIKey of (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is GYLANHLTJKQVEW-SECBINFHSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-18-12-7-10(15)3-4-11(12)16-14(18)17-13(19)9-5-6-20-8-9/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,19)/t9-/m1/s1.
What are the key properties of (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide?
(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 124516272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).