4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide

C25H25ClN4O2 — CID 59530548

IUPAC4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(-c3ccc(OC)cc3)[nH]c2cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN4O2/c1-4-30(5-2)23-15-21-20(27-24(28-21)16-8-12-19(32-3)13-9-16)14-22(23)29-25(31)17-6-10-18(26)11-7-17/h6-15H,4-5H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyRQQDWQHCSACFPJ-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.99
Rot. Bonds7

About 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide

4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 59530548) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID59530548
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(-c3ccc(OC)cc3)[nH]c2cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClN4O2/c1-4-30(5-2)23-15-21-20(27-24(28-21)16-8-12-19(32-3)13-9-16)14-22(23)29-25(31)17-6-10-18(26)11-7-17/h6-15H,4-5H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyRQQDWQHCSACFPJ-UHFFFAOYSA-N
XLogP5.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569
4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
CID 68511451
4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
CID 25101001
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
CID 59530546
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide (CID 59530548) is 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide is CCN(CC)c1cc2nc(-c3ccc(OC)cc3)[nH]c2cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is RQQDWQHCSACFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-4-30(5-2)23-15-21-20(27-24(28-21)16-8-12-19(32-3)13-9-16)14-22(23)29-25(31)17-6-10-18(26)11-7-17/h6-15H,4-5H2,1-3H3,(H,27,28)(H,29,31).
What are the key properties of 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 448.95 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 59530548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).