N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide

C14H12N4O2 — CID 947650

IUPACN-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C14H12N4O2/c1-9-2-4-11(20-9)7-17-18-14(19)10-3-5-12-13(6-10)16-8-15-12/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyGWGKWYAIDWDWPG-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.23
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide

N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 947650) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID947650
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C14H12N4O2/c1-9-2-4-11(20-9)7-17-18-14(19)10-3-5-12-13(6-10)16-8-15-12/h2-8H,1H3,(H,15,16)(H,18,19)
InChIKeyGWGKWYAIDWDWPG-UHFFFAOYSA-N
XLogP2.23
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
CID 5423416
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661365
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 5424776
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661620
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 141213990
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide (CID 947650) is N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide is Cc1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is GWGKWYAIDWDWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-2-4-11(20-9)7-17-18-14(19)10-3-5-12-13(6-10)16-8-15-12/h2-8H,1H3,(H,15,16)(H,18,19).
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide?
N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 947650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).