N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide

C14H17BrN4O2 — CID 63139661

IUPACN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CCNC1
InChIInChI=1S/C14H17BrN4O2/c1-2-14(3-4-16-7-14)12(20)17-9-6-11-10(5-8(9)15)18-13(21)19-11/h5-6,16H,2-4,7H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyKVAXWPISUOXOHJ-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.95
Rot. Bonds3

About N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide

N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63139661) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID63139661
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CCNC1
InChIInChI=1S/C14H17BrN4O2/c1-2-14(3-4-16-7-14)12(20)17-9-6-11-10(5-8(9)15)18-13(21)19-11/h5-6,16H,2-4,7H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyKVAXWPISUOXOHJ-UHFFFAOYSA-N
XLogP1.95
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749
1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 65464224
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 79734509
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(4-bromo-2,5-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107611654
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 64686030
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 64592207
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
4-[(3-ethylpyrrolidine-3-carbonyl)amino]-3-fluorobenzoic acid
CID 63187702

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide (CID 63139661) is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CCNC1.
What is the InChIKey of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is KVAXWPISUOXOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-2-14(3-4-16-7-14)12(20)17-9-6-11-10(5-8(9)15)18-13(21)19-11/h5-6,16H,2-4,7H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).