N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide

C25H29N5O2 — CID 134083500

IUPACN-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide
SMILESCCCCn1c(C(NC(=O)c2ccc3nccnc3c2)C(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C25H29N5O2/c1-5-6-13-30-22-15-18(32-4)8-10-20(22)28-24(30)23(16(2)3)29-25(31)17-7-9-19-21(14-17)27-12-11-26-19/h7-12,14-16,23H,5-6,13H2,1-4H3,(H,29,31)
InChIKeyBKYWRGBFQMXUEK-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.92
Rot. Bonds8

About N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide

N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide (PubChem CID 134083500) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide
PubChem CID134083500
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide
SMILESCCCCn1c(C(NC(=O)c2ccc3nccnc3c2)C(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C25H29N5O2/c1-5-6-13-30-22-15-18(32-4)8-10-20(22)28-24(30)23(16(2)3)29-25(31)17-7-9-19-21(14-17)27-12-11-26-19/h7-12,14-16,23H,5-6,13H2,1-4H3,(H,29,31)
InChIKeyBKYWRGBFQMXUEK-UHFFFAOYSA-N
XLogP4.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 134083497
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010183
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010184
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
CID 134083531
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide (CID 134083500) is N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide is CCCCn1c(C(NC(=O)c2ccc3nccnc3c2)C(C)C)nc2ccc(OC)cc21.
What is the InChIKey of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide?
The InChIKey is BKYWRGBFQMXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-5-6-13-30-22-15-18(32-4)8-10-20(22)28-24(30)23(16(2)3)29-25(31)17-7-9-19-21(14-17)27-12-11-26-19/h7-12,14-16,23H,5-6,13H2,1-4H3,(H,29,31).
What are the key properties of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide?
N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 134083500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).