N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide

C19H19N5O — CID 49373016

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
SMILESCCn1c(CNC(=O)Cc2[nH]nc3ccccc23)nc2ccccc21
InChIInChI=1S/C19H19N5O/c1-2-24-17-10-6-5-9-15(17)21-18(24)12-20-19(25)11-16-13-7-3-4-8-14(13)22-23-16/h3-10H,2,11-12H2,1H3,(H,20,25)(H,22,23)
InChIKeyMKHOHKYYMHUJLJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.79
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide (PubChem CID 49373016) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
PubChem CID49373016
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
SMILESCCn1c(CNC(=O)Cc2[nH]nc3ccccc23)nc2ccccc21
InChIInChI=1S/C19H19N5O/c1-2-24-17-10-6-5-9-15(17)21-18(24)12-20-19(25)11-16-13-7-3-4-8-14(13)22-23-16/h3-10H,2,11-12H2,1H3,(H,20,25)(H,22,23)
InChIKeyMKHOHKYYMHUJLJ-UHFFFAOYSA-N
XLogP2.79
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 18086685
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116677
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide (CID 49373016) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide is CCn1c(CNC(=O)Cc2[nH]nc3ccccc23)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide?
The InChIKey is MKHOHKYYMHUJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-24-17-10-6-5-9-15(17)21-18(24)12-20-19(25)11-16-13-7-3-4-8-14(13)22-23-16/h3-10H,2,11-12H2,1H3,(H,20,25)(H,22,23).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 49373016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).