1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane

C24H32N4O2 — CID 143707986

IUPAC1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane
SMILESCCC.CCCCN(Cc1ccc(C(C)=O)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2.C3H8/c1-3-4-13-25(14-16-9-11-17(12-10-16)15(2)26)21(27)24-20-22-18-7-5-6-8-19(18)23-20;1-3-2/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,24,27);3H2,1-2H3
InChIKeyLDLZKAGRWIDDAV-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.02
Rot. Bonds7

About 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane

1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane (PubChem CID 143707986) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane.

Molecular Properties

Compound Name1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane
PubChem CID143707986
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane
SMILESCCC.CCCCN(Cc1ccc(C(C)=O)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2.C3H8/c1-3-4-13-25(14-16-9-11-17(12-10-16)15(2)26)21(27)24-20-22-18-7-5-6-8-19(18)23-20;1-3-2/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,24,27);3H2,1-2H3
InChIKeyLDLZKAGRWIDDAV-UHFFFAOYSA-N
XLogP6.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea
CID 1454656
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
4-[[2-(1H-benzimidazol-2-yl)ethyl-[(4-fluorophenyl)methyl]carbamoyl]amino]benzoic acid
CID 22300931
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]urea
CID 1454622
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane?
The IUPAC name of 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane (CID 143707986) is 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane.
What is the SMILES notation for 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane?
The canonical SMILES for 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane is CCC.CCCCN(Cc1ccc(C(C)=O)cc1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane?
The InChIKey is LDLZKAGRWIDDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.C3H8/c1-3-4-13-25(14-16-9-11-17(12-10-16)15(2)26)21(27)24-20-22-18-7-5-6-8-19(18)23-20;1-3-2/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,24,27);3H2,1-2H3.
What are the key properties of 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane?
1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane has a molecular weight of 408.55 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane is sourced from PubChem (CID 143707986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).