N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C19H27N5O — CID 52991285

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCCn1c(CN(C)C(=O)C2NNC3CCCCC32)nc2ccccc21
InChIInChI=1S/C19H27N5O/c1-3-24-16-11-7-6-10-15(16)20-17(24)12-23(2)19(25)18-13-8-4-5-9-14(13)21-22-18/h6-7,10-11,13-14,18,21-22H,3-5,8-9,12H2,1-2H3
InChIKeyFRRVQOXKBVEKJZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.05
Rot. Bonds4

About N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 52991285) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID52991285
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCCn1c(CN(C)C(=O)C2NNC3CCCCC32)nc2ccccc21
InChIInChI=1S/C19H27N5O/c1-3-24-16-11-7-6-10-15(16)20-17(24)12-23(2)19(25)18-13-8-4-5-9-14(13)21-22-18/h6-7,10-11,13-14,18,21-22H,3-5,8-9,12H2,1-2H3
InChIKeyFRRVQOXKBVEKJZ-UHFFFAOYSA-N
XLogP2.05
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 51097092
2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 74912402
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60597282
2-tert-butylsulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 60597055
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
CID 51097095
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
N-(cyclohexylmethyl)-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 55563675
(E)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 51096299
1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116580009
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 52991285) is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CCn1c(CN(C)C(=O)C2NNC3CCCCC32)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is FRRVQOXKBVEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-24-16-11-7-6-10-15(16)20-17(24)12-23(2)19(25)18-13-8-4-5-9-14(13)21-22-18/h6-7,10-11,13-14,18,21-22H,3-5,8-9,12H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 52991285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).