N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C22H22N4O — CID 55445770

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H22N4O/c1-14-13-18(16(3)26(14)17-9-5-4-6-10-17)22(27)23-15(2)21-24-19-11-7-8-12-20(19)25-21/h4-13,15H,1-3H3,(H,23,27)(H,24,25)
InChIKeyYPZGJSUVXCWBRF-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.46
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 55445770) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID55445770
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H22N4O/c1-14-13-18(16(3)26(14)17-9-5-4-6-10-17)22(27)23-15(2)21-24-19-11-7-8-12-20(19)25-21/h4-13,15H,1-3H3,(H,23,27)(H,24,25)
InChIKeyYPZGJSUVXCWBRF-UHFFFAOYSA-N
XLogP4.46
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 55471878
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 78806694
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 60620350

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 55445770) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is YPZGJSUVXCWBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-13-18(16(3)26(14)17-9-5-4-6-10-17)22(27)23-15(2)21-24-19-11-7-8-12-20(19)25-21/h4-13,15H,1-3H3,(H,23,27)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 55445770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).