5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide

C26H27N7O — CID 118342564

IUPAC5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCN(C)c1cc(-c2ccc3c(c2)ncn3-c2ccccc2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C26H27N7O/c1-31(2)11-12-32(3)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-9-10-21-20(13-17)30-16-33(21)18-7-5-4-6-8-18/h4-10,13-16H,11-12H2,1-3H3,(H2,27,34)(H,28,29)
InChIKeyRVEDVHRGUBDXEH-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.67
Rot. Bonds7

About 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide

5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide (PubChem CID 118342564) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide
PubChem CID118342564
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCN(C)c1cc(-c2ccc3c(c2)ncn3-c2ccccc2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C26H27N7O/c1-31(2)11-12-32(3)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-9-10-21-20(13-17)30-16-33(21)18-7-5-4-6-8-18/h4-10,13-16H,11-12H2,1-3H3,(H2,27,34)(H,28,29)
InChIKeyRVEDVHRGUBDXEH-UHFFFAOYSA-N
XLogP3.67
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(dimethylamino)ethyl-methylamino]-7-[1-[(1S,3S)-3-methylcyclohexyl]benzimidazol-5-yl]-3H-benzimidazole-4-carboxamide
CID 126481107
7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide
CID 118338325
5-[2-(dimethylamino)ethyl-methylamino]-7-[(3E)-3-methoxyimino-1,2-dihydroinden-5-yl]-3H-benzimidazole-4-carboxamide
CID 118338886
methyl 5-[2-(dimethylamino)ethyl-methylamino]-7-[1-(oxan-3-yl)benzimidazol-5-yl]-3H-benzimidazole-4-carboxylate
CID 118338505
7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide
CID 118350321
7-(1-ethyl-2-oxo-4-pyridinyl)-5-[methyl-[2-(methylamino)ethyl]amino]-3H-benzimidazole-4-carboxamide
CID 135217544
acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid
CID 162176315
N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine;dihydrochloride
CID 22004137
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide
CID 162025020
5-(1-cyclohexylbenzimidazol-5-yl)-4-ethyl-7-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,4-dihydroquinoline-8-carboxamide
CID 135217999
2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline
CID 156575569

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide (CID 118342564) is 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide is CN(C)CCN(C)c1cc(-c2ccc3c(c2)ncn3-c2ccccc2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
The InChIKey is RVEDVHRGUBDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-31(2)11-12-32(3)22-14-19(24-25(29-15-28-24)23(22)26(27)34)17-9-10-21-20(13-17)30-16-33(21)18-7-5-4-6-8-18/h4-10,13-16H,11-12H2,1-3H3,(H2,27,34)(H,28,29).
What are the key properties of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-phenylbenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118342564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).