[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

C22H23N5O — CID 127778417

IUPAC[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C22H23N5O/c1-2-20-24-17-5-3-4-6-19(17)27(20)16-10-13-26(14-11-16)22(28)18-8-7-15-9-12-23-21(15)25-18/h3-9,12,16H,2,10-11,13-14H2,1H3,(H,23,25)
InChIKeyPFFASUCYOIRQTG-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.95
Rot. Bonds3

About [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (PubChem CID 127778417) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
PubChem CID127778417
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C22H23N5O/c1-2-20-24-17-5-3-4-6-19(17)27(20)16-10-13-26(14-11-16)22(28)18-8-7-15-9-12-23-21(15)25-18/h3-9,12,16H,2,10-11,13-14H2,1H3,(H,23,25)
InChIKeyPFFASUCYOIRQTG-UHFFFAOYSA-N
XLogP3.95
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120641164
1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157016726
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778121
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154793757
N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133445496
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189
N-[3-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propyl]-4-fluoroaniline
CID 58599524

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The IUPAC name of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (CID 127778417) is [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The canonical SMILES for [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1.
What is the InChIKey of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The InChIKey is PFFASUCYOIRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-20-24-17-5-3-4-6-19(17)27(20)16-10-13-26(14-11-16)22(28)18-8-7-15-9-12-23-21(15)25-18/h3-9,12,16H,2,10-11,13-14H2,1H3,(H,23,25).
What are the key properties of [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is sourced from PubChem (CID 127778417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).