N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide

C19H20N4O — CID 90336064

IUPACN-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(C2CC2C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4O/c1-23(2)13-9-7-12(8-10-13)14-11-15(14)18(24)22-19-20-16-5-3-4-6-17(16)21-19/h3-10,14-15H,11H2,1-2H3,(H2,20,21,22,24)
InChIKeySIIYTQYZZVNIND-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.37
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide

N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 90336064) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID90336064
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccc(C2CC2C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4O/c1-23(2)13-9-7-12(8-10-13)14-11-15(14)18(24)22-19-20-16-5-3-4-6-17(16)21-19/h3-10,14-15H,11H2,1-2H3,(H2,20,21,22,24)
InChIKeySIIYTQYZZVNIND-UHFFFAOYSA-N
XLogP3.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
CID 144524994
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate
CID 90331343
2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
CID 71847605
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide (CID 90336064) is N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide is CN(C)c1ccc(C2CC2C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is SIIYTQYZZVNIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23(2)13-9-7-12(8-10-13)14-11-15(14)18(24)22-19-20-16-5-3-4-6-17(16)21-19/h3-10,14-15H,11H2,1-2H3,(H2,20,21,22,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90336064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).