1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide

C14H18N4O — CID 116847356

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C14H18N4O/c1-9-16-11-8-10(4-5-12(11)18(9)3)14(6-7-14)13(19)17-15-2/h4-5,8,15H,6-7H2,1-3H3,(H,17,19)
InChIKeyUZOKLNTVAJLYAH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.16
Rot. Bonds3

About 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide

1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide (PubChem CID 116847356) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide
PubChem CID116847356
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C14H18N4O/c1-9-16-11-8-10(4-5-12(11)18(9)3)14(6-7-14)13(19)17-15-2/h4-5,8,15H,6-7H2,1-3H3,(H,17,19)
InChIKeyUZOKLNTVAJLYAH-UHFFFAOYSA-N
XLogP1.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
CID 117362592
5-(1-isocyanatocyclobutyl)-1,2-dimethylbenzimidazole
CID 117355332
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
CID 116850441
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111486100
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide (CID 116847356) is 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide is CNNC(=O)C1(c2ccc3c(c2)nc(C)n3C)CC1.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide?
The InChIKey is UZOKLNTVAJLYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-16-11-8-10(4-5-12(11)18(9)3)14(6-7-14)13(19)17-15-2/h4-5,8,15H,6-7H2,1-3H3,(H,17,19).
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide?
1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide has a molecular weight of 258.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 116847356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).