N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide

C18H21N5O — CID 164984428

IUPACN-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2=NCC(c3nc4ccccc4[nH]3)=C2)CC1
InChIInChI=1S/C18H21N5O/c1-23-8-6-12(7-9-23)18(24)22-16-10-13(11-19-16)17-20-14-4-2-3-5-15(14)21-17/h2-5,10,12H,6-9,11H2,1H3,(H,20,21)(H,19,22,24)
InChIKeyFYKRJTQCLZBLQX-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.82
Rot. Bonds2

About N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide

N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 164984428) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide
PubChem CID164984428
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2=NCC(c3nc4ccccc4[nH]3)=C2)CC1
InChIInChI=1S/C18H21N5O/c1-23-8-6-12(7-9-23)18(24)22-16-10-13(11-19-16)17-20-14-4-2-3-5-15(14)21-17/h2-5,10,12H,6-9,11H2,1H3,(H,20,21)(H,19,22,24)
InChIKeyFYKRJTQCLZBLQX-UHFFFAOYSA-N
XLogP1.82
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
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N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
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CID 47154418
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N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
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N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
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N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
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[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide (CID 164984428) is N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC2=NCC(c3nc4ccccc4[nH]3)=C2)CC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is FYKRJTQCLZBLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23-8-6-12(7-9-23)18(24)22-16-10-13(11-19-16)17-20-14-4-2-3-5-15(14)21-17/h2-5,10,12H,6-9,11H2,1H3,(H,20,21)(H,19,22,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 164984428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).