(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone

C17H14N4O — CID 112527634

IUPAC(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
SMILESCc1nc2cc(N)ccc2n1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H14N4O/c1-10-20-15-9-13(18)4-5-16(15)21(10)17(22)12-3-2-11-6-7-19-14(11)8-12/h2-9,19H,18H2,1H3
InChIKeySUCOCAYSQYNIQN-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.10
Rot. Bonds1

About (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone

(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone (PubChem CID 112527634) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
PubChem CID112527634
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
SMILESCc1nc2cc(N)ccc2n1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H14N4O/c1-10-20-15-9-13(18)4-5-16(15)21(10)17(22)12-3-2-11-6-7-19-14(11)8-12/h2-9,19H,18H2,1H3
InChIKeySUCOCAYSQYNIQN-UHFFFAOYSA-N
XLogP3.10
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-methylindol-1-yl)-(1H-indol-6-yl)methanone
CID 112526463
(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112527679
(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone
CID 112525218
(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone
CID 112524607
5-amino-3-(3H-benzimidazole-5-carbonyl)-1-methylbenzimidazol-2-one
CID 110743513
[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112529947
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112528487
ethane;1H-indole-6-carboxylic acid
CID 142472960
6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1H-benzimidazol-2-one
CID 110743859
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
2-methylbenzimidazole-1,5-diamine
CID 83418174
(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112523699

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone?
The IUPAC name of (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone (CID 112527634) is (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone.
What is the SMILES notation for (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone?
The canonical SMILES for (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone is Cc1nc2cc(N)ccc2n1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone?
The InChIKey is SUCOCAYSQYNIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-20-15-9-13(18)4-5-16(15)21(10)17(22)12-3-2-11-6-7-19-14(11)8-12/h2-9,19H,18H2,1H3.
What are the key properties of (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone?
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone has a molecular weight of 290.33 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone is sourced from PubChem (CID 112527634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).