N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide

C22H26N4O — CID 45173229

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C22H26N4O/c1-15(2)26-13-5-6-17(14-26)22(27)23-18-11-9-16(10-12-18)21-24-19-7-3-4-8-20(19)25-21/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyDQJADIIAYMECII-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.29
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 45173229) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID45173229
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C22H26N4O/c1-15(2)26-13-5-6-17(14-26)22(27)23-18-11-9-16(10-12-18)21-24-19-7-3-4-8-20(19)25-21/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyDQJADIIAYMECII-UHFFFAOYSA-N
XLogP4.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 45173229) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is DQJADIIAYMECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(2)26-13-5-6-17(14-26)22(27)23-18-11-9-16(10-12-18)21-24-19-7-3-4-8-20(19)25-21/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 45173229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).