6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine

C14H13N5 — CID 110512014

IUPAC6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(N/N=C\c3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N5/c1-10-5-6-12-13(8-10)18-14(17-12)19-16-9-11-4-2-3-7-15-11/h2-9H,1H3,(H2,17,18,19)/b16-9-
InChIKeyIORCJCIUUYHJQS-SXGWCWSVSA-N
MW251.29 g/mol
LogP2.71
Rot. Bonds3

About 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine

6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 110512014) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
PubChem CID110512014
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(N/N=C\c3ccccn3)[nH]c2c1
InChIInChI=1S/C14H13N5/c1-10-5-6-12-13(8-10)18-14(17-12)19-16-9-11-4-2-3-7-15-11/h2-9H,1H3,(H2,17,18,19)/b16-9-
InChIKeyIORCJCIUUYHJQS-SXGWCWSVSA-N
XLogP2.71
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110512019
4-methyl-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135543410
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 110511816
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511979
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511818
2,4-dibromo-6-[(Z)-[(6-methyl-1H-benzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136787411
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110511992
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511861
2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide
CID 693866
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511877

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine (CID 110512014) is 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine is Cc1ccc2nc(N/N=C\c3ccccn3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is IORCJCIUUYHJQS-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H13N5/c1-10-5-6-12-13(8-10)18-14(17-12)19-16-9-11-4-2-3-7-15-11/h2-9H,1H3,(H2,17,18,19)/b16-9-.
What are the key properties of 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine?
6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 110512014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).