N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide

C26H28N6O2 — CID 91821615

IUPACN-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H28N6O2/c33-24(13-5-2-8-14-29-26(34)23-18-27-15-16-28-23)30-22(17-19-9-3-1-4-10-19)25-31-20-11-6-7-12-21(20)32-25/h1,3-4,6-7,9-12,15-16,18,22H,2,5,8,13-14,17H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyUJWGRDPNNZJTGL-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.74
Rot. Bonds11

About N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide

N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide (PubChem CID 91821615) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide
PubChem CID91821615
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H28N6O2/c33-24(13-5-2-8-14-29-26(34)23-18-27-15-16-28-23)30-22(17-19-9-3-1-4-10-19)25-31-20-11-6-7-12-21(20)32-25/h1,3-4,6-7,9-12,15-16,18,22H,2,5,8,13-14,17H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyUJWGRDPNNZJTGL-UHFFFAOYSA-N
XLogP3.74
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-4-oxobutyl]carbamate
CID 55939947
N-[3-(1H-benzimidazol-2-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 138723232
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40633986
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 9116698
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
4-(4-acetyl-2-methoxyphenoxy)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]butanamide
CID 55941127
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55940255
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845
N-[4-[[1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 55430565

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide (CID 91821615) is N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide is O=C(CCCCCNC(=O)c1cnccn1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide?
The InChIKey is UJWGRDPNNZJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c33-24(13-5-2-8-14-29-26(34)23-18-27-15-16-28-23)30-22(17-19-9-3-1-4-10-19)25-31-20-11-6-7-12-21(20)32-25/h1,3-4,6-7,9-12,15-16,18,22H,2,5,8,13-14,17H2,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide?
N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.74, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-6-oxohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91821615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).