7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide

C27H35N7O — CID 118338374

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCCN(C)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C27H35N7O/c1-32(2)12-7-13-33(3)23-15-20(25-26(30-16-29-25)24(23)27(28)35)18-10-11-22-21(14-18)31-17-34(22)19-8-5-4-6-9-19/h10-11,14-17,19H,4-9,12-13H2,1-3H3,(H2,28,35)(H,29,30)
InChIKeyMTCQRWJDMIGFQN-UHFFFAOYSA-N
MW473.63 g/mol
LogP4.57
Rot. Bonds8

About 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide

7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide (PubChem CID 118338374) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide
PubChem CID118338374
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCCN(C)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C27H35N7O/c1-32(2)12-7-13-33(3)23-15-20(25-26(30-16-29-25)24(23)27(28)35)18-10-11-22-21(14-18)31-17-34(22)19-8-5-4-6-9-19/h10-11,14-17,19H,4-9,12-13H2,1-3H3,(H2,28,35)(H,29,30)
InChIKeyMTCQRWJDMIGFQN-UHFFFAOYSA-N
XLogP4.57
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide (CID 118338374) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide is CN(C)CCCN(C)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide?
The InChIKey is MTCQRWJDMIGFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-32(2)12-7-13-33(3)23-15-20(25-26(30-16-29-25)24(23)27(28)35)18-10-11-22-21(14-18)31-17-34(22)19-8-5-4-6-9-19/h10-11,14-17,19H,4-9,12-13H2,1-3H3,(H2,28,35)(H,29,30).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide has a molecular weight of 473.63 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[3-(dimethylamino)propyl-methylamino]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118338374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).