4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide

C27H30N4O2 — CID 139827149

IUPAC4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc3nc(CCc4ccc(OC)cc4)[nH]c3c2)cc1
InChIInChI=1S/C27H30N4O2/c1-4-31(5-2)22-12-9-20(10-13-22)27(32)28-21-11-16-24-25(18-21)30-26(29-24)17-8-19-6-14-23(33-3)15-7-19/h6-7,9-16,18H,4-5,8,17H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyRALUGFQTJPHRKJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.46
Rot. Bonds9

About 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide

4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 139827149) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID139827149
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc3nc(CCc4ccc(OC)cc4)[nH]c3c2)cc1
InChIInChI=1S/C27H30N4O2/c1-4-31(5-2)22-12-9-20(10-13-22)27(32)28-21-11-16-24-25(18-21)30-26(29-24)17-8-19-6-14-23(33-3)15-7-19/h6-7,9-16,18H,4-5,8,17H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyRALUGFQTJPHRKJ-UHFFFAOYSA-N
XLogP5.46
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
N-(3,4-dimethoxyphenyl)-2-[2-[4-(2-methylpropanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789464
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
N-(3-methylsulfanylphenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789523
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide (CID 139827149) is 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide is CCN(CC)c1ccc(C(=O)Nc2ccc3nc(CCc4ccc(OC)cc4)[nH]c3c2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is RALUGFQTJPHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-4-31(5-2)22-12-9-20(10-13-22)27(32)28-21-11-16-24-25(18-21)30-26(29-24)17-8-19-6-14-23(33-3)15-7-19/h6-7,9-16,18H,4-5,8,17H2,1-3H3,(H,28,32)(H,29,30).
What are the key properties of 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide?
4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 139827149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).