N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide

C18H17N5O2 — CID 154795635

IUPACN-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
SMILESCOCCn1c(NC(=O)c2ccc3[nH]ncc3c2)nc2ccccc21
InChIInChI=1S/C18H17N5O2/c1-25-9-8-23-16-5-3-2-4-15(16)20-18(23)21-17(24)12-6-7-14-13(10-12)11-19-22-14/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,21,24)
InChIKeyHFELQQWYIGLKMQ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.81
Rot. Bonds5

About N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide

N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide (PubChem CID 154795635) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
PubChem CID154795635
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
SMILESCOCCn1c(NC(=O)c2ccc3[nH]ncc3c2)nc2ccccc21
InChIInChI=1S/C18H17N5O2/c1-25-9-8-23-16-5-3-2-4-15(16)20-18(23)21-17(24)12-6-7-14-13(10-12)11-19-22-14/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,21,24)
InChIKeyHFELQQWYIGLKMQ-UHFFFAOYSA-N
XLogP2.81
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
methyl 3-[2-[(3-aminobenzoyl)amino]benzimidazol-1-yl]propanoate
CID 68792716
N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide
CID 134459830
(2R,3R)-N-[1-(2-methoxyethyl)benzimidazol-2-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586287
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
CID 4044810
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945
3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 119770789
[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
CID 156529117
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide (CID 154795635) is N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide is COCCn1c(NC(=O)c2ccc3[nH]ncc3c2)nc2ccccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide?
The InChIKey is HFELQQWYIGLKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-9-8-23-16-5-3-2-4-15(16)20-18(23)21-17(24)12-6-7-14-13(10-12)11-19-22-14/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,21,24).
What are the key properties of N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide?
N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 154795635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).