2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide

C17H19N5O — CID 66984126

IUPAC2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCCCC1c1cccc2[nH]c(-c3ccc[nH]3)nc12
InChIInChI=1S/C17H19N5O/c18-17(23)22-10-2-1-8-14(22)11-5-3-6-12-15(11)21-16(20-12)13-7-4-9-19-13/h3-7,9,14,19H,1-2,8,10H2,(H2,18,23)(H,20,21)
InChIKeyPBVRESLNPQBFAV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.16
Rot. Bonds2

About 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide

2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide (PubChem CID 66984126) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide
PubChem CID66984126
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCCCC1c1cccc2[nH]c(-c3ccc[nH]3)nc12
InChIInChI=1S/C17H19N5O/c18-17(23)22-10-2-1-8-14(22)11-5-3-6-12-15(11)21-16(20-12)13-7-4-9-19-13/h3-7,9,14,19H,1-2,8,10H2,(H2,18,23)(H,20,21)
InChIKeyPBVRESLNPQBFAV-UHFFFAOYSA-N
XLogP3.16
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide (CID 66984126) is 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide is NC(=O)N1CCCCC1c1cccc2[nH]c(-c3ccc[nH]3)nc12.
What is the InChIKey of 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide?
The InChIKey is PBVRESLNPQBFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-17(23)22-10-2-1-8-14(22)11-5-3-6-12-15(11)21-16(20-12)13-7-4-9-19-13/h3-7,9,14,19H,1-2,8,10H2,(H2,18,23)(H,20,21).
What are the key properties of 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide?
2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrol-2-yl)-1H-benzimidazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 66984126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).