N-(benzylideneamino)-1-methylbenzimidazol-2-amine

C15H14N4 — CID 589673

IUPACN-(benzylideneamino)-1-methylbenzimidazol-2-amine
SMILESCn1c(NN=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H14N4/c1-19-14-10-6-5-9-13(14)17-15(19)18-16-11-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)
InChIKeyQPMKQSHLMNXDPB-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.02
Rot. Bonds3

About N-(benzylideneamino)-1-methylbenzimidazol-2-amine

N-(benzylideneamino)-1-methylbenzimidazol-2-amine (PubChem CID 589673) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(benzylideneamino)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-1-methylbenzimidazol-2-amine
PubChem CID589673
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-(benzylideneamino)-1-methylbenzimidazol-2-amine
SMILESCn1c(NN=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H14N4/c1-19-14-10-6-5-9-13(14)17-15(19)18-16-11-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)
InChIKeyQPMKQSHLMNXDPB-UHFFFAOYSA-N
XLogP3.02
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031247
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
2-bromo-6-methoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031249
2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031252
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]-1-methylbenzimidazol-2-amine
CID 127244194
4-[(Z)-[(1-ethylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 137022224
N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-1-methylbenzimidazol-2-amine
CID 6298016
4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 29171729
4-[(E)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 18267442
1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
CID 23266662

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(benzylideneamino)-1-methylbenzimidazol-2-amine (CID 589673) is N-(benzylideneamino)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(benzylideneamino)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(benzylideneamino)-1-methylbenzimidazol-2-amine is Cn1c(NN=Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-(benzylideneamino)-1-methylbenzimidazol-2-amine?
The InChIKey is QPMKQSHLMNXDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-19-14-10-6-5-9-13(14)17-15(19)18-16-11-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18).
What are the key properties of N-(benzylideneamino)-1-methylbenzimidazol-2-amine?
N-(benzylideneamino)-1-methylbenzimidazol-2-amine has a molecular weight of 250.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 589673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).