3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline

C19H19N3 — CID 140917852

IUPAC3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline
SMILESCc1c(N2c3ccccc3N(C)[C@@H]2C)cnc2ccccc12
InChIInChI=1S/C19H19N3/c1-13-15-8-4-5-9-16(15)20-12-19(13)22-14(2)21(3)17-10-6-7-11-18(17)22/h4-12,14H,1-3H3/t14-/m0/s1
InChIKeyRMBQLMWZIZHANB-AWEZNQCLSA-N
MW289.38 g/mol
LogP4.48
Rot. Bonds1

About 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline

3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline (PubChem CID 140917852) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline.

Molecular Properties

Compound Name3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline
PubChem CID140917852
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline
SMILESCc1c(N2c3ccccc3N(C)[C@@H]2C)cnc2ccccc12
InChIInChI=1S/C19H19N3/c1-13-15-8-4-5-9-16(15)20-12-19(13)22-14(2)21(3)17-10-6-7-11-18(17)22/h4-12,14H,1-3H3/t14-/m0/s1
InChIKeyRMBQLMWZIZHANB-AWEZNQCLSA-N
XLogP4.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline?
The IUPAC name of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline (CID 140917852) is 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline.
What is the SMILES notation for 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline?
The canonical SMILES for 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline is Cc1c(N2c3ccccc3N(C)[C@@H]2C)cnc2ccccc12.
What is the InChIKey of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline?
The InChIKey is RMBQLMWZIZHANB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3/c1-13-15-8-4-5-9-16(15)20-12-19(13)22-14(2)21(3)17-10-6-7-11-18(17)22/h4-12,14H,1-3H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline?
3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline has a molecular weight of 289.38 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline is sourced from PubChem (CID 140917852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).