N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

C27H22N4O3 — CID 55505787

IUPACN-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C27H22N4O3/c1-18-29-23-16-20(11-14-24(23)31(18)22-6-3-2-4-7-22)26(32)28-17-19-9-12-21(13-10-19)30-27(33)25-8-5-15-34-25/h2-16H,17H2,1H3,(H,28,32)(H,30,33)
InChIKeyHRHSOSYVCPXXJZ-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.11
Rot. Bonds6

About N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 55505787) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID55505787
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C27H22N4O3/c1-18-29-23-16-20(11-14-24(23)31(18)22-6-3-2-4-7-22)26(32)28-17-19-9-12-21(13-10-19)30-27(33)25-8-5-15-34-25/h2-16H,17H2,1H3,(H,28,32)(H,30,33)
InChIKeyHRHSOSYVCPXXJZ-UHFFFAOYSA-N
XLogP5.11
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
CID 60578647
1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide
CID 23996925
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
CID 38465374
2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylbenzimidazole-5-carboxamide
CID 40718348

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (CID 55505787) is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is HRHSOSYVCPXXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c1-18-29-23-16-20(11-14-24(23)31(18)22-6-3-2-4-7-22)26(32)28-17-19-9-12-21(13-10-19)30-27(33)25-8-5-15-34-25/h2-16H,17H2,1H3,(H,28,32)(H,30,33).
What are the key properties of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 55505787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).