6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile

C25H26N6O — CID 122703018

IUPAC6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(C#N)c3n2C)cc2ccccc21
InChIInChI=1S/C25H26N6O/c1-3-31-21-9-5-4-7-16(21)13-22(31)24-28-20-12-17(11-18(14-26)23(20)29(24)2)25(32)30-10-6-8-19(27)15-30/h4-5,7,9,11-13,19H,3,6,8,10,15,27H2,1-2H3
InChIKeyBCSBCHOBOWLXPF-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.65
Rot. Bonds3

About 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile

6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile (PubChem CID 122703018) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
PubChem CID122703018
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(C#N)c3n2C)cc2ccccc21
InChIInChI=1S/C25H26N6O/c1-3-31-21-9-5-4-7-16(21)13-22(31)24-28-20-12-17(11-18(14-26)23(20)29(24)2)25(32)30-10-6-8-19(27)15-30/h4-5,7,9,11-13,19H,3,6,8,10,15,27H2,1-2H3
InChIKeyBCSBCHOBOWLXPF-UHFFFAOYSA-N
XLogP3.65
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(methylamino)benzimidazol-5-yl]methanone
CID 122703008
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-hydroxyethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122703159
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122702856
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
CID 138492584
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(3-methoxypropyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122703123
[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351494
[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351492
(3-aminopiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158934
[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703087
[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703090
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-hydroxy-1-methylbenzimidazol-5-yl]methanone
CID 134481914
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702932

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile (CID 122703018) is 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile is CCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)cc(C#N)c3n2C)cc2ccccc21.
What is the InChIKey of 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile?
The InChIKey is BCSBCHOBOWLXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-3-31-21-9-5-4-7-16(21)13-22(31)24-28-20-12-17(11-18(14-26)23(20)29(24)2)25(32)30-10-6-8-19(27)15-30/h4-5,7,9,11-13,19H,3,6,8,10,15,27H2,1-2H3.
What are the key properties of 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile?
6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile has a molecular weight of 426.52 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 122703018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).