N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide

C14H20N4O — CID 110692569

IUPACN-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O/c1-17(2)8-4-7-15-14(19)11-5-6-13-12(9-11)16-10-18(13)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,19)
InChIKeyOYMIYMBAXAOCTP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.25
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide

N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 110692569) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID110692569
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O/c1-17(2)8-4-7-15-14(19)11-5-6-13-12(9-11)16-10-18(13)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,19)
InChIKeyOYMIYMBAXAOCTP-UHFFFAOYSA-N
XLogP1.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186461
2-bromo-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 103755357
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
CID 110469142
N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 71844437

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide (CID 110692569) is N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide is CN(C)CCCNC(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is OYMIYMBAXAOCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)8-4-7-15-14(19)11-5-6-13-12(9-11)16-10-18(13)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110692569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).