N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

C22H26N4O3 — CID 665880

IUPACN-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C22H26N4O3/c1-26-18-10-9-16(24-21(27)15-6-3-2-4-7-15)14-17(18)25-20(26)11-12-23-22(28)19-8-5-13-29-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyDZOSYPSVDNWKNV-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.66
Rot. Bonds6

About N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 665880) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID665880
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C22H26N4O3/c1-26-18-10-9-16(24-21(27)15-6-3-2-4-7-15)14-17(18)25-20(26)11-12-23-22(28)19-8-5-13-29-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyDZOSYPSVDNWKNV-UHFFFAOYSA-N
XLogP3.66
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 665880) is N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)C3CCCCC3)ccc21.
What is the InChIKey of N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is DZOSYPSVDNWKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-26-18-10-9-16(24-21(27)15-6-3-2-4-7-15)14-17(18)25-20(26)11-12-23-22(28)19-8-5-13-29-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(cyclohexanecarbonylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 665880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).