N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide

C20H18N4O2 — CID 110741005

IUPACN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cc2ccccc2n(CCNC(=O)c2ccc3nc[nH]c3c2)c1=O
InChIInChI=1S/C20H18N4O2/c1-13-10-14-4-2-3-5-18(14)24(20(13)26)9-8-21-19(25)15-6-7-16-17(11-15)23-12-22-16/h2-7,10-12H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyRONUSBFMKHMGSW-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110741005) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID110741005
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cc2ccccc2n(CCNC(=O)c2ccc3nc[nH]c3c2)c1=O
InChIInChI=1S/C20H18N4O2/c1-13-10-14-4-2-3-5-18(14)24(20(13)26)9-8-21-19(25)15-6-7-16-17(11-15)23-12-22-16/h2-7,10-12H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyRONUSBFMKHMGSW-UHFFFAOYSA-N
XLogP2.62
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110743625
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475309
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide (CID 110741005) is N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide is Cc1cc2ccccc2n(CCNC(=O)c2ccc3nc[nH]c3c2)c1=O.
What is the InChIKey of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RONUSBFMKHMGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-10-14-4-2-3-5-18(14)24(20(13)26)9-8-21-19(25)15-6-7-16-17(11-15)23-12-22-16/h2-7,10-12H,8-9H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110741005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).