(3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone

C24H27N5O — CID 137146153

IUPAC(3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone
SMILESCCc1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccc3n2C)[nH]c2ccccc12
InChIInChI=1S/C24H27N5O/c1-3-17-18-8-4-5-9-19(18)26-22(17)23-27-20-13-15(10-11-21(20)28(23)2)24(30)29-12-6-7-16(25)14-29/h4-5,8-11,13,16,26H,3,6-7,12,14,25H2,1-2H3
InChIKeyXDTMWQOFZBKSIO-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.85
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone

(3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone (PubChem CID 137146153) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone
PubChem CID137146153
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name(3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone
SMILESCCc1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccc3n2C)[nH]c2ccccc12
InChIInChI=1S/C24H27N5O/c1-3-17-18-8-4-5-9-19(18)26-22(17)23-27-20-13-15(10-11-21(20)28(23)2)24(30)29-12-6-7-16(25)14-29/h4-5,8-11,13,16,26H,3,6-7,12,14,25H2,1-2H3
InChIKeyXDTMWQOFZBKSIO-UHFFFAOYSA-N
XLogP3.85
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride
CID 130366839
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-propan-2-ylindol-2-yl)benzimidazol-5-yl]methanone
CID 135355682
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-phenylpyrrol-2-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride
CID 130366803
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 72725333
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-(9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl)benzimidazol-5-yl]methanone
CID 135355581
(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-hydroxypyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 123925395
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702932
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703090
(1,2-dimethylbenzimidazol-5-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46981415
[(3R)-3-aminopiperidin-1-yl]-[2-(5-cyclopropyl-1-phenylpyrazol-4-yl)-1-ethylbenzimidazol-5-yl]methanone
CID 156528860
6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
CID 122703018

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone (CID 137146153) is (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone is CCc1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccc3n2C)[nH]c2ccccc12.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is XDTMWQOFZBKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-3-17-18-8-4-5-9-19(18)26-22(17)23-27-20-13-15(10-11-21(20)28(23)2)24(30)29-12-6-7-16(25)14-29/h4-5,8-11,13,16,26H,3,6-7,12,14,25H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
(3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(3-ethyl-1H-indol-2-yl)-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 137146153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).