2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine

C16H18N4 — CID 115126305

IUPAC2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)c2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C16H18N4/c1-11-4-6-13(17)16(8-11)20(3)12-5-7-15-14(9-12)18-10-19(15)2/h4-10H,17H2,1-3H3
InChIKeyCRILVXFDZWWDPD-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.23
Rot. Bonds2

About 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine

2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine (PubChem CID 115126305) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine
PubChem CID115126305
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)c2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C16H18N4/c1-11-4-6-13(17)16(8-11)20(3)12-5-7-15-14(9-12)18-10-19(15)2/h4-10H,17H2,1-3H3
InChIKeyCRILVXFDZWWDPD-UHFFFAOYSA-N
XLogP3.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethylbenzimidazole;ethene
CID 145318091
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
CID 110869320
3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
CID 115119590
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791
4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115125068
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331
2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine
CID 115126289
2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol
CID 115136919
1,3-diethylbenzene;1,5-dimethylbenzimidazole
CID 143832422
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935
3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115154607

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine (CID 115126305) is 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine is Cc1ccc(N)c(N(C)c2ccc3c(c2)ncn3C)c1.
What is the InChIKey of 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine?
The InChIKey is CRILVXFDZWWDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-4-6-13(17)16(8-11)20(3)12-5-7-15-14(9-12)18-10-19(15)2/h4-10H,17H2,1-3H3.
What are the key properties of 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine?
2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 115126305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).