2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide

C20H19N5O2 — CID 163644327

IUPAC2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESNc1ccccc1C(N)c1nc2ccc(C(=O)NCc3ccco3)cc2[nH]1
InChIInChI=1S/C20H19N5O2/c21-15-6-2-1-5-14(15)18(22)19-24-16-8-7-12(10-17(16)25-19)20(26)23-11-13-4-3-9-27-13/h1-10,18H,11,21-22H2,(H,23,26)(H,24,25)
InChIKeyIGYGOEDMKVGYRP-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.72
Rot. Bonds5

About 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide

2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 163644327) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID163644327
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESNc1ccccc1C(N)c1nc2ccc(C(=O)NCc3ccco3)cc2[nH]1
InChIInChI=1S/C20H19N5O2/c21-15-6-2-1-5-14(15)18(22)19-24-16-8-7-12(10-17(16)25-19)20(26)23-11-13-4-3-9-27-13/h1-10,18H,11,21-22H2,(H,23,26)(H,24,25)
InChIKeyIGYGOEDMKVGYRP-UHFFFAOYSA-N
XLogP2.72
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 56561104
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-(6-chloro-1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 100579855
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 100786923
N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide
CID 135531191
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
CID 31638485
2-chloro-N-(furan-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
CID 100788712

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 163644327) is 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide is Nc1ccccc1C(N)c1nc2ccc(C(=O)NCc3ccco3)cc2[nH]1.
What is the InChIKey of 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is IGYGOEDMKVGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-15-6-2-1-5-14(15)18(22)19-24-16-8-7-12(10-17(16)25-19)20(26)23-11-13-4-3-9-27-13/h1-10,18H,11,21-22H2,(H,23,26)(H,24,25).
What are the key properties of 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 163644327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).