N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

C22H30N4O — CID 46106770

IUPACN-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3n2C2CCCC2)C1)C1CCCC1
InChIInChI=1S/C22H30N4O/c27-21(16-7-1-2-8-16)23-17-13-14-25(15-17)22-24-19-11-5-6-12-20(19)26(22)18-9-3-4-10-18/h5-6,11-12,16-18H,1-4,7-10,13-15H2,(H,23,27)
InChIKeyKYAPADJMGCXYGI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (PubChem CID 46106770) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
PubChem CID46106770
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3n2C2CCCC2)C1)C1CCCC1
InChIInChI=1S/C22H30N4O/c27-21(16-7-1-2-8-16)23-17-13-14-25(15-17)22-24-19-11-5-6-12-20(19)26(22)18-9-3-4-10-18/h5-6,11-12,16-18H,1-4,7-10,13-15H2,(H,23,27)
InChIKeyKYAPADJMGCXYGI-UHFFFAOYSA-N
XLogP4.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (CID 46106770) is N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is O=C(NC1CCN(c2nc3ccccc3n2C2CCCC2)C1)C1CCCC1.
What is the InChIKey of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The InChIKey is KYAPADJMGCXYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c27-21(16-7-1-2-8-16)23-17-13-14-25(15-17)22-24-19-11-5-6-12-20(19)26(22)18-9-3-4-10-18/h5-6,11-12,16-18H,1-4,7-10,13-15H2,(H,23,27).
What are the key properties of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 46106770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).