N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide

C18H17N5O — CID 78867985

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC(C)c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C18H17N5O/c1-10-7-8-13-12(9-10)16(23-22-13)18(24)19-11(2)17-20-14-5-3-4-6-15(14)21-17/h3-9,11H,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyAXAORFOWBPFAND-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.24
Rot. Bonds3

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78867985) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78867985
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC(C)c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C18H17N5O/c1-10-7-8-13-12(9-10)16(23-22-13)18(24)19-11(2)17-20-14-5-3-4-6-15(14)21-17/h3-9,11H,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyAXAORFOWBPFAND-UHFFFAOYSA-N
XLogP3.24
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866009
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 2327988
4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 99945716
N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide
CID 78868409
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide (CID 78867985) is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NC(C)c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is AXAORFOWBPFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-7-8-13-12(9-10)16(23-22-13)18(24)19-11(2)17-20-14-5-3-4-6-15(14)21-17/h3-9,11H,1-2H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78867985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).