1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide

C25H27N5O2 — CID 122703075

IUPAC1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3n2C)cc2ccccc21
InChIInChI=1S/C25H27N5O2/c1-3-30-20-7-5-4-6-17(20)15-22(30)24-27-19-14-18(8-9-21(19)28(24)2)25(32)29-12-10-16(11-13-29)23(26)31/h4-9,14-16H,3,10-13H2,1-2H3,(H2,26,31)
InChIKeyLMIMTVRXKLYERB-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide

1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 122703075) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID122703075
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3n2C)cc2ccccc21
InChIInChI=1S/C25H27N5O2/c1-3-30-20-7-5-4-6-17(20)15-22(30)24-27-19-14-18(8-9-21(19)28(24)2)25(32)29-12-10-16(11-13-29)23(26)31/h4-9,14-16H,3,10-13H2,1-2H3,(H2,26,31)
InChIKeyLMIMTVRXKLYERB-UHFFFAOYSA-N
XLogP3.55
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-4-ethoxypiperidin-1-yl)-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703052
[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703090
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-5-[(2,2,2-trifluoroacetyl)amino]piperidine-3-carboxamide
CID 135355636
[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-methoxypiperidin-3-yl]carbamic acid
CID 135355644
[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 145189517
tert-butyl N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-hydroxypiperidin-3-yl]carbamate
CID 142741788
[(3S,6R)-1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-6-methylpiperidin-3-yl] carbamate
CID 175102325
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 129230076
N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-5-hydroxypiperidin-3-yl]-2,2,2-trifluoroacetamide
CID 122703078
[1-[2-(1-ethyl-5-fluoroindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175101015
N'-[1-[2-(1-benzylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]-2-chloroethanimidamide
CID 135355617
tert-butyl N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-2-methylpiperidin-3-yl]carbamate
CID 175100624

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide (CID 122703075) is 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide is CCn1c(-c2nc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3n2C)cc2ccccc21.
What is the InChIKey of 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is LMIMTVRXKLYERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-3-30-20-7-5-4-6-17(20)15-22(30)24-27-19-14-18(8-9-21(19)28(24)2)25(32)29-12-10-16(11-13-29)23(26)31/h4-9,14-16H,3,10-13H2,1-2H3,(H2,26,31).
What are the key properties of 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide?
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 122703075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).