(1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone

C17H17N3O — CID 135892693

IUPAC(1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCc3[nH]cnc3C2)n2ccccc12
InChIInChI=1S/C17H17N3O/c1-11-8-16(20-7-3-2-4-15(11)20)17(21)12-5-6-13-14(9-12)19-10-18-13/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,18,19)
InChIKeyDHLNJPZQQQKWPK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.96
Rot. Bonds2

About (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone

(1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone (PubChem CID 135892693) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone
PubChem CID135892693
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCc3[nH]cnc3C2)n2ccccc12
InChIInChI=1S/C17H17N3O/c1-11-8-16(20-7-3-2-4-15(11)20)17(21)12-5-6-13-14(9-12)19-10-18-13/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,18,19)
InChIKeyDHLNJPZQQQKWPK-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone?
The IUPAC name of (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone (CID 135892693) is (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone?
The canonical SMILES for (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone is Cc1cc(C(=O)C2CCc3[nH]cnc3C2)n2ccccc12.
What is the InChIKey of (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone?
The InChIKey is DHLNJPZQQQKWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-8-16(20-7-3-2-4-15(11)20)17(21)12-5-6-13-14(9-12)19-10-18-13/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,18,19).
What are the key properties of (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone?
(1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 135892693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).