1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine

C17H17N5 — CID 58672187

IUPAC1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine
SMILESCn1c(N=c2n(C)c3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C17H17N5/c1-20-13-9-5-4-8-12(13)18-16(20)19-17-21(2)14-10-6-7-11-15(14)22(17)3/h4-11H,1-3H3
InChIKeyPPFOCIOQPWMESS-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.64
Rot. Bonds1

About 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine

1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine (PubChem CID 58672187) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine
PubChem CID58672187
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine
SMILESCn1c(N=c2n(C)c3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C17H17N5/c1-20-13-9-5-4-8-12(13)18-16(20)19-17-21(2)14-10-6-7-11-15(14)22(17)3/h4-11H,1-3H3
InChIKeyPPFOCIOQPWMESS-UHFFFAOYSA-N
XLogP2.64
TPSA40.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 144505597
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3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol
CID 3116455
CID 140577195
CID 140577195
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
1-methyl-N-(3-methylcyclopentyl)benzimidazol-2-amine
CID 114547792
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
2-(disulfanyl)-1-methylbenzimidazole
CID 123710496

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine?
The IUPAC name of 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine (CID 58672187) is 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine?
The canonical SMILES for 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine is Cn1c(N=c2n(C)c3ccccc3n2C)nc2ccccc21.
What is the InChIKey of 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine?
The InChIKey is PPFOCIOQPWMESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-20-13-9-5-4-8-12(13)18-16(20)19-17-21(2)14-10-6-7-11-15(14)22(17)3/h4-11H,1-3H3.
What are the key properties of 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine?
1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine has a molecular weight of 291.36 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine is sourced from PubChem (CID 58672187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).