7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide

C22H23N5O2 — CID 118350266

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide
SMILESCOc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C22H23N5O2/c1-29-18-10-15(20-21(25-11-24-20)19(18)22(23)28)13-7-8-17-16(9-13)26-12-27(17)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,23,28)(H,24,25)
InChIKeyQSSHCSYVHHWZIO-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.19
Rot. Bonds4

About 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide

7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide (PubChem CID 118350266) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide
PubChem CID118350266
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide
SMILESCOc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C22H23N5O2/c1-29-18-10-15(20-21(25-11-24-20)19(18)22(23)28)13-7-8-17-16(9-13)26-12-27(17)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,23,28)(H,24,25)
InChIKeyQSSHCSYVHHWZIO-UHFFFAOYSA-N
XLogP4.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide (CID 118350266) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide is COc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide?
The InChIKey is QSSHCSYVHHWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-18-10-15(20-21(25-11-24-20)19(18)22(23)28)13-7-8-17-16(9-13)26-12-27(17)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,23,28)(H,24,25).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylbenzimidazol-5-yl)-5-methoxy-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118350266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).