N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine

C15H16N4 — CID 115212382

IUPACN-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCc3ccc(N)cc3)ccc21
InChIInChI=1S/C15H16N4/c1-19-10-18-14-8-13(6-7-15(14)19)17-9-11-2-4-12(16)5-3-11/h2-8,10,17H,9,16H2,1H3
InChIKeyDQUINAKTLVAJMC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.77
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine

N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine (PubChem CID 115212382) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
PubChem CID115212382
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCc3ccc(N)cc3)ccc21
InChIInChI=1S/C15H16N4/c1-19-10-18-14-8-13(6-7-15(14)19)17-9-11-2-4-12(16)5-3-11/h2-8,10,17H,9,16H2,1H3
InChIKeyDQUINAKTLVAJMC-UHFFFAOYSA-N
XLogP2.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 866291
2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124487
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115125068
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
CID 115135155
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 167799786
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
CID 115245633
(1-methylbenzimidazol-5-yl)urea
CID 12521213
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66793952
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine (CID 115212382) is N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine is Cn1cnc2cc(NCc3ccc(N)cc3)ccc21.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine?
The InChIKey is DQUINAKTLVAJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-10-18-14-8-13(6-7-15(14)19)17-9-11-2-4-12(16)5-3-11/h2-8,10,17H,9,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine?
N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 115212382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).