N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide

C27H28N4O4 — CID 112814163

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
SMILESCn1c(=O)n(CCC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c2ccccc21
InChIInChI=1S/C27H28N4O4/c1-29-23-6-2-3-7-24(23)31(27(29)34)15-14-25(32)30(18-22-5-4-16-35-22)17-19-8-10-20(11-9-19)26(33)28-21-12-13-21/h2-11,16,21H,12-15,17-18H2,1H3,(H,28,33)
InChIKeyGIIBEIGDRMBRCZ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.44
Rot. Bonds9

About N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide (PubChem CID 112814163) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
PubChem CID112814163
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
SMILESCn1c(=O)n(CCC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c2ccccc21
InChIInChI=1S/C27H28N4O4/c1-29-23-6-2-3-7-24(23)31(27(29)34)15-14-25(32)30(18-22-5-4-16-35-22)17-19-8-10-20(11-9-19)26(33)28-21-12-13-21/h2-11,16,21H,12-15,17-18H2,1H3,(H,28,33)
InChIKeyGIIBEIGDRMBRCZ-UHFFFAOYSA-N
XLogP3.44
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142231
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 78847716
N-cyclopropyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112814162
N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112818770
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 78883602
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
4-[[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 78852178

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide (CID 112814163) is N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide is Cn1c(=O)n(CCC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide?
The InChIKey is GIIBEIGDRMBRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-29-23-6-2-3-7-24(23)31(27(29)34)15-14-25(32)30(18-22-5-4-16-35-22)17-19-8-10-20(11-9-19)26(33)28-21-12-13-21/h2-11,16,21H,12-15,17-18H2,1H3,(H,28,33).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide has a molecular weight of 472.55 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 112814163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).