N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide

C18H24FN5O2 — CID 156607408

IUPACN-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)NCC3CC(F)CN3)ccc21
InChIInChI=1S/C18H24FN5O2/c1-23-16-3-2-12(17(25)21-11-14-9-13(19)10-20-14)8-15(16)22-18(23)24-4-6-26-7-5-24/h2-3,8,13-14,20H,4-7,9-11H2,1H3,(H,21,25)
InChIKeySMHXHOWYSGCALH-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.84
Rot. Bonds4

About N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide

N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 156607408) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID156607408
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)NCC3CC(F)CN3)ccc21
InChIInChI=1S/C18H24FN5O2/c1-23-16-3-2-12(17(25)21-11-14-9-13(19)10-20-14)8-15(16)22-18(23)24-4-6-26-7-5-24/h2-3,8,13-14,20H,4-7,9-11H2,1H3,(H,21,25)
InChIKeySMHXHOWYSGCALH-UHFFFAOYSA-N
XLogP0.84
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 156607408) is N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide is Cn1c(N2CCOCC2)nc2cc(C(=O)NCC3CC(F)CN3)ccc21.
What is the InChIKey of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is SMHXHOWYSGCALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-23-16-3-2-12(17(25)21-11-14-9-13(19)10-20-14)8-15(16)22-18(23)24-4-6-26-7-5-24/h2-3,8,13-14,20H,4-7,9-11H2,1H3,(H,21,25).
What are the key properties of N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 156607408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).