3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine

C14H16N4 — CID 141028954

IUPAC3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine
SMILESCc1ccncc1NC1Nc2ccccc2N1C
InChIInChI=1S/C14H16N4/c1-10-7-8-15-9-12(10)17-14-16-11-5-3-4-6-13(11)18(14)2/h3-9,14,16-17H,1-2H3
InChIKeyYYZSRXAVDPDPFI-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds2

About 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine

3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine (PubChem CID 141028954) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine
PubChem CID141028954
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine
SMILESCc1ccncc1NC1Nc2ccccc2N1C
InChIInChI=1S/C14H16N4/c1-10-7-8-15-9-12(10)17-14-16-11-5-3-4-6-13(11)18(14)2/h3-9,14,16-17H,1-2H3
InChIKeyYYZSRXAVDPDPFI-UHFFFAOYSA-N
XLogP2.65
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine?
The IUPAC name of 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine (CID 141028954) is 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine?
The canonical SMILES for 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine is Cc1ccncc1NC1Nc2ccccc2N1C.
What is the InChIKey of 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine?
The InChIKey is YYZSRXAVDPDPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-7-8-15-9-12(10)17-14-16-11-5-3-4-6-13(11)18(14)2/h3-9,14,16-17H,1-2H3.
What are the key properties of 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine?
3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine is sourced from PubChem (CID 141028954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).