N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C19H24FN3O — CID 22962010

IUPACN-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCN(CCCCc1ccc(F)cc1)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C19H24FN3O/c1-23(11-3-2-4-14-5-8-16(20)9-6-14)19(24)15-7-10-17-18(12-15)22-13-21-17/h5-6,8-9,13,15H,2-4,7,10-12H2,1H3,(H,21,22)
InChIKeyWJYOJHJPBHIURP-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.13
Rot. Bonds6

About N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 22962010) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID22962010
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCN(CCCCc1ccc(F)cc1)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C19H24FN3O/c1-23(11-3-2-4-14-5-8-16(20)9-6-14)19(24)15-7-10-17-18(12-15)22-13-21-17/h5-6,8-9,13,15H,2-4,7,10-12H2,1H3,(H,21,22)
InChIKeyWJYOJHJPBHIURP-UHFFFAOYSA-N
XLogP3.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 22962039
N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
CID 160532663
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628311
N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639933
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628312
(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 22961968
[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 23512746
methyl 2-(4-fluorophenyl)-2-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonylamino)acetate
CID 90640250
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640015
N-methyl-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 74878818

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 22962010) is N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CN(CCCCc1ccc(F)cc1)C(=O)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is WJYOJHJPBHIURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-23(11-3-2-4-14-5-8-16(20)9-6-14)19(24)15-7-10-17-18(12-15)22-13-21-17/h5-6,8-9,13,15H,2-4,7,10-12H2,1H3,(H,21,22).
What are the key properties of N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 22962010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).