N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide

C20H25N5O — CID 158218110

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide
SMILESCN1CCC(C2=NC=C(C(=O)NCCc3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C20H25N5O/c1-25-10-7-14(8-11-25)18-12-15(13-22-18)20(26)21-9-6-19-23-16-4-2-3-5-17(16)24-19/h2-5,13-14H,6-12H2,1H3,(H,21,26)(H,23,24)
InChIKeyCRFDMMGLVNGCRI-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide (PubChem CID 158218110) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide
PubChem CID158218110
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide
SMILESCN1CCC(C2=NC=C(C(=O)NCCc3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C20H25N5O/c1-25-10-7-14(8-11-25)18-12-15(13-22-18)20(26)21-9-6-19-23-16-4-2-3-5-17(16)24-19/h2-5,13-14H,6-12H2,1H3,(H,21,26)(H,23,24)
InChIKeyCRFDMMGLVNGCRI-UHFFFAOYSA-N
XLogP2.29
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124564619
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
5-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 18143858
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
(2S,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopentanecarbonylamino)-1-methylpyrrolidine-2-carboxamide
CID 56720580
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(2S,4R)-2-tert-butyloxan-4-yl]urea
CID 125136010
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(2S,4S)-2-tert-butyloxan-4-yl]urea
CID 125136009
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
CID 71973726
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 30251226
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide (CID 158218110) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide is CN1CCC(C2=NC=C(C(=O)NCCc3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide?
The InChIKey is CRFDMMGLVNGCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-25-10-7-14(8-11-25)18-12-15(13-22-18)20(26)21-9-6-19-23-16-4-2-3-5-17(16)24-19/h2-5,13-14H,6-12H2,1H3,(H,21,26)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1-methylpiperidin-4-yl)-3H-pyrrole-4-carboxamide is sourced from PubChem (CID 158218110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).