3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide

C19H22N4O3 — CID 155953759

IUPAC3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)cc1O
InChIInChI=1S/C19H22N4O3/c1-12-4-6-14(11-17(12)24)20-18(25)13-5-7-15-16(10-13)23(19(26)21-15)9-8-22(2)3/h4-7,10-11,24H,8-9H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyFCLGRJPNQUAMNR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.16
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide

3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 155953759) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID155953759
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)cc1O
InChIInChI=1S/C19H22N4O3/c1-12-4-6-14(11-17(12)24)20-18(25)13-5-7-15-16(10-13)23(19(26)21-15)9-8-22(2)3/h4-7,10-11,24H,8-9H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyFCLGRJPNQUAMNR-UHFFFAOYSA-N
XLogP2.16
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethyl]-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 166250000
N-(3-hydroxy-4-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103772619
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
N-[1-(1-adamantyl)-2-phenylethyl]-3-[2-(dimethylamino)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 166357926
N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113290193
5-acetyl-3-hexyl-1H-benzimidazol-2-one
CID 101435534
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
N-[4-(dimethylcarbamoyl)-3-methylphenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136527414
3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 114956383
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
3-benzyl-N-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 5091458

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide (CID 155953759) is 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)cc1O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is FCLGRJPNQUAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-4-6-14(11-17(12)24)20-18(25)13-5-7-15-16(10-13)23(19(26)21-15)9-8-22(2)3/h4-7,10-11,24H,8-9H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide?
3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 155953759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).