N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C20H24N4O3 — CID 110204713

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc21
InChIInChI=1S/C20H24N4O3/c1-22-16-6-5-15(13-17(16)23(2)19(22)26)21-18(25)14-20(7-11-27-12-8-20)24-9-3-4-10-24/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,21,25)
InChIKeyIMGJREWKOGXJAK-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.21
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 110204713) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID110204713
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc21
InChIInChI=1S/C20H24N4O3/c1-22-16-6-5-15(13-17(16)23(2)19(22)26)21-18(25)14-20(7-11-27-12-8-20)24-9-3-4-10-24/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,21,25)
InChIKeyIMGJREWKOGXJAK-UHFFFAOYSA-N
XLogP2.21
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 110205090
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CID 91639946
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
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2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110167461
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1,4-dioxane-2-carboxamide
CID 49169137
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
5-[(4-hydroxyoxan-4-yl)methoxy]-1,3-dimethylbenzimidazol-2-one
CID 167822885
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 110204713) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is IMGJREWKOGXJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-16-6-5-15(13-17(16)23(2)19(22)26)21-18(25)14-20(7-11-27-12-8-20)24-9-3-4-10-24/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 110204713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).