2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide

C20H20N6O — CID 11325864

IUPAC2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCNCCNC(=O)c1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1
InChIInChI=1S/C20H20N6O/c1-21-8-9-24-20(27)13-6-7-16-17(12-13)26-19(25-16)15-5-3-2-4-14(15)18-22-10-11-23-18/h2-7,10-12,21H,8-9H2,1H3,(H,22,23)(H,24,27)(H,25,26)
InChIKeyPVACZQZEKSUYHQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.57
Rot. Bonds6

About 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide

2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11325864) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID11325864
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCNCCNC(=O)c1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1
InChIInChI=1S/C20H20N6O/c1-21-8-9-24-20(27)13-6-7-16-17(12-13)26-19(25-16)15-5-3-2-4-14(15)18-22-10-11-23-18/h2-7,10-12,21H,8-9H2,1H3,(H,22,23)(H,24,27)(H,25,26)
InChIKeyPVACZQZEKSUYHQ-UHFFFAOYSA-N
XLogP2.57
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
N-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethyl]-2-[4-[6-[2-[methyl-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 138649257
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
2-[2-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 11313172
N-(3-hydroxypropyl)-2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxamide
CID 15941221
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide (CID 11325864) is 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide is CNCCNC(=O)c1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PVACZQZEKSUYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-21-8-9-24-20(27)13-6-7-16-17(12-13)26-19(25-16)15-5-3-2-4-14(15)18-22-10-11-23-18/h2-7,10-12,21H,8-9H2,1H3,(H,22,23)(H,24,27)(H,25,26).
What are the key properties of 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide?
2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)phenyl]-N-[2-(methylamino)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11325864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).