7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide

C28H35N7O — CID 118338325

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(CCN1CCCC1)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C28H35N7O/c1-33(13-14-34-11-5-6-12-34)24-16-21(26-27(31-17-30-26)25(24)28(29)36)19-9-10-23-22(15-19)32-18-35(23)20-7-3-2-4-8-20/h9-10,15-18,20H,2-8,11-14H2,1H3,(H2,29,36)(H,30,31)
InChIKeyTYLXRYXMMAGDNU-UHFFFAOYSA-N
MW485.64 g/mol
LogP4.72
Rot. Bonds7

About 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide

7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide (PubChem CID 118338325) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide
PubChem CID118338325
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(CCN1CCCC1)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C28H35N7O/c1-33(13-14-34-11-5-6-12-34)24-16-21(26-27(31-17-30-26)25(24)28(29)36)19-9-10-23-22(15-19)32-18-35(23)20-7-3-2-4-8-20/h9-10,15-18,20H,2-8,11-14H2,1H3,(H2,29,36)(H,30,31)
InChIKeyTYLXRYXMMAGDNU-UHFFFAOYSA-N
XLogP4.72
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.72
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-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide (CID 118338325) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide is CN(CCN1CCCC1)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide?
The InChIKey is TYLXRYXMMAGDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-33(13-14-34-11-5-6-12-34)24-16-21(26-27(31-17-30-26)25(24)28(29)36)19-9-10-23-22(15-19)32-18-35(23)20-7-3-2-4-8-20/h9-10,15-18,20H,2-8,11-14H2,1H3,(H2,29,36)(H,30,31).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide has a molecular weight of 485.64 g/mol, XLogP of 4.72, 7 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-[methyl(2-pyrrolidin-1-ylethyl)amino]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118338325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).