N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide

C18H16ClN5O — CID 146145810

IUPACN-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide
SMILESCC(c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cccc2[nH]ncc12
InChIInChI=1S/C18H16ClN5O/c1-10(17-21-15-7-6-11(19)8-16(15)22-17)24(2)18(25)12-4-3-5-14-13(12)9-20-23-14/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyYLDRRGNGOAOCIP-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.93
Rot. Bonds3

About N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide

N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide (PubChem CID 146145810) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide
PubChem CID146145810
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide
SMILESCC(c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cccc2[nH]ncc12
InChIInChI=1S/C18H16ClN5O/c1-10(17-21-15-7-6-11(19)8-16(15)22-17)24(2)18(25)12-4-3-5-14-13(12)9-20-23-14/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyYLDRRGNGOAOCIP-UHFFFAOYSA-N
XLogP3.93
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
CID 135566361
1-(3-carbamimidoylphenyl)-N-[4-(5-chloro-1H-1,3-benzodiazol-1-yl)phenyl]-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646207
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
5H-1-benzazepin-5-ylidene acetamide, 1o
CID 44520865
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)benzamide
CID 11518712
4-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]benzene-1,4-dicarboxamide
CID 11547838
1-amino-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]isoquinoline-6-carboxamide
CID 11562699
3-amino-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-1H-indazole-6-carboxamide
CID 11720429
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-methylbenzamide
CID 66674328
N-tert-butyl-2-(6-chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279444
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridin-3-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 121399295
N,N-diethyl-2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazole-4-carboxamide
CID 135497870

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide?
The IUPAC name of N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide (CID 146145810) is N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide?
The canonical SMILES for N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide is CC(c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cccc2[nH]ncc12.
What is the InChIKey of N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide?
The InChIKey is YLDRRGNGOAOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-10(17-21-15-7-6-11(19)8-16(15)22-17)24(2)18(25)12-4-3-5-14-13(12)9-20-23-14/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide?
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide is sourced from PubChem (CID 146145810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).