N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide

C20H24FN5O — CID 135324548

IUPACN-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(=O)NCC(N)CCCN)nc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H24FN5O/c1-26-18-9-6-14(13-4-7-15(21)8-5-13)11-17(18)25-19(26)20(27)24-12-16(23)3-2-10-22/h4-9,11,16H,2-3,10,12,22-23H2,1H3,(H,24,27)
InChIKeyJKJATFZATTZKQX-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.18
Rot. Bonds7

About N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide

N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide (PubChem CID 135324548) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
PubChem CID135324548
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(=O)NCC(N)CCCN)nc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H24FN5O/c1-26-18-9-6-14(13-4-7-15(21)8-5-13)11-17(18)25-19(26)20(27)24-12-16(23)3-2-10-22/h4-9,11,16H,2-3,10,12,22-23H2,1H3,(H,24,27)
InChIKeyJKJATFZATTZKQX-UHFFFAOYSA-N
XLogP2.18
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide?
The IUPAC name of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide (CID 135324548) is N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide.
What is the SMILES notation for N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide?
The canonical SMILES for N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide is Cn1c(C(=O)NCC(N)CCCN)nc2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide?
The InChIKey is JKJATFZATTZKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-26-18-9-6-14(13-4-7-15(21)8-5-13)11-17(18)25-19(26)20(27)24-12-16(23)3-2-10-22/h4-9,11,16H,2-3,10,12,22-23H2,1H3,(H,24,27).
What are the key properties of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide?
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide is sourced from PubChem (CID 135324548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).