(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone

C17H13N3O2 — CID 112527679

IUPAC(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
SMILESCc1nc2cc(N)ccc2n1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13N3O2/c1-10-19-13-9-12(18)6-7-14(13)20(10)17(21)16-8-11-4-2-3-5-15(11)22-16/h2-9H,18H2,1H3
InChIKeyTZGPZHSCQDRACL-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.36
Rot. Bonds1

About (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone

(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone (PubChem CID 112527679) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
PubChem CID112527679
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
SMILESCc1nc2cc(N)ccc2n1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H13N3O2/c1-10-19-13-9-12(18)6-7-14(13)20(10)17(21)16-8-11-4-2-3-5-15(11)22-16/h2-9H,18H2,1H3
InChIKeyTZGPZHSCQDRACL-UHFFFAOYSA-N
XLogP3.36
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112528084
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
CID 112527634
1-(1-benzofuran-2-yl)ethanone
CID 15435
2-methylbenzimidazole-1,5-diamine
CID 83418174
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
CID 3575416
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-benzofuran-2-yl)methanone
CID 43823655
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
4-aminobenzamide;1-benzofuran-2-carboxylic acid
CID 70131943
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
The IUPAC name of (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone (CID 112527679) is (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
The canonical SMILES for (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone is Cc1nc2cc(N)ccc2n1C(=O)c1cc2ccccc2o1.
What is the InChIKey of (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
The InChIKey is TZGPZHSCQDRACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-19-13-9-12(18)6-7-14(13)20(10)17(21)16-8-11-4-2-3-5-15(11)22-16/h2-9H,18H2,1H3.
What are the key properties of (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone has a molecular weight of 291.31 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112527679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).