7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide

C27H32N6O2 — CID 126481012

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide
SMILESCN1CCC[C@@H]1COc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C27H32N6O2/c1-32-11-5-8-19(32)14-35-23-13-20(25-26(30-15-29-25)24(23)27(28)34)17-9-10-22-21(12-17)31-16-33(22)18-6-3-2-4-7-18/h9-10,12-13,15-16,18-19H,2-8,11,14H2,1H3,(H2,28,34)(H,29,30)/t19-/m1/s1
InChIKeyACOXZSMPJCMSNH-LJQANCHMSA-N
MW472.59 g/mol
LogP4.66
Rot. Bonds6

About 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide

7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide (PubChem CID 126481012) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide
PubChem CID126481012
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide
SMILESCN1CCC[C@@H]1COc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C27H32N6O2/c1-32-11-5-8-19(32)14-35-23-13-20(25-26(30-15-29-25)24(23)27(28)34)17-9-10-22-21(12-17)31-16-33(22)18-6-3-2-4-7-18/h9-10,12-13,15-16,18-19H,2-8,11,14H2,1H3,(H2,28,34)(H,29,30)/t19-/m1/s1
InChIKeyACOXZSMPJCMSNH-LJQANCHMSA-N
XLogP4.66
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.66
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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide (CID 126481012) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide is CN1CCC[C@@H]1COc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
The InChIKey is ACOXZSMPJCMSNH-LJQANCHMSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-32-11-5-8-19(32)14-35-23-13-20(25-26(30-15-29-25)24(23)27(28)34)17-9-10-22-21(12-17)31-16-33(22)18-6-3-2-4-7-18/h9-10,12-13,15-16,18-19H,2-8,11,14H2,1H3,(H2,28,34)(H,29,30)/t19-/m1/s1.
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.66, 6 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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 126481012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).