3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide

C29H34N6O2 — CID 73051934

IUPAC3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(Nc2nc3ccccc3n2-c2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C29H34N6O2/c1-4-34(5-2)19-9-18-31-28(37)21-14-16-23(17-15-21)32-29-33-25-12-6-7-13-26(25)35(29)24-11-8-10-22(20-24)27(36)30-3/h6-8,10-17,20H,4-5,9,18-19H2,1-3H3,(H,30,36)(H,31,37)(H,32,33)
InChIKeyUKIVNPCRNYWOHX-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.59
Rot. Bonds11

About 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide

3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide (PubChem CID 73051934) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide
PubChem CID73051934
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(Nc2nc3ccccc3n2-c2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C29H34N6O2/c1-4-34(5-2)19-9-18-31-28(37)21-14-16-23(17-15-21)32-29-33-25-12-6-7-13-26(25)35(29)24-11-8-10-22(20-24)27(36)30-3/h6-8,10-17,20H,4-5,9,18-19H2,1-3H3,(H,30,36)(H,31,37)(H,32,33)
InChIKeyUKIVNPCRNYWOHX-UHFFFAOYSA-N
XLogP4.59
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453655
methyl 3-[(1-phenylbenzimidazol-2-yl)amino]benzoate
CID 141343666
3-[[1-[6-[4-(diethylamino)butylamino]pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide
CID 46879440
N-[3-[[1-[6-[4-(diethylamino)butylamino]pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(fluoromethyl)benzamide
CID 71057119
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(diethylamino)propyl]benzamide
CID 5078215
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide
CID 67055113
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide (CID 73051934) is 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide is CCN(CC)CCCNC(=O)c1ccc(Nc2nc3ccccc3n2-c2cccc(C(=O)NC)c2)cc1.
What is the InChIKey of 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide?
The InChIKey is UKIVNPCRNYWOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-4-34(5-2)19-9-18-31-28(37)21-14-16-23(17-15-21)32-29-33-25-12-6-7-13-26(25)35(29)24-11-8-10-22(20-24)27(36)30-3/h6-8,10-17,20H,4-5,9,18-19H2,1-3H3,(H,30,36)(H,31,37)(H,32,33).
What are the key properties of 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide?
3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide has a molecular weight of 498.63 g/mol, XLogP of 4.59, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide is sourced from PubChem (CID 73051934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).