3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide

C18H24N6O3 — CID 71264414

IUPAC3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide
SMILESNC(=O)CCn1c(NC(N)=O)nc2cc(NC(=O)CC3CCCC3)ccc21
InChIInChI=1S/C18H24N6O3/c19-15(25)7-8-24-14-6-5-12(10-13(14)22-18(24)23-17(20)27)21-16(26)9-11-3-1-2-4-11/h5-6,10-11H,1-4,7-9H2,(H2,19,25)(H,21,26)(H3,20,22,23,27)
InChIKeyVDUZETBNHSLUSE-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.92
Rot. Bonds7

About 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide

3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide (PubChem CID 71264414) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide
PubChem CID71264414
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide
SMILESNC(=O)CCn1c(NC(N)=O)nc2cc(NC(=O)CC3CCCC3)ccc21
InChIInChI=1S/C18H24N6O3/c19-15(25)7-8-24-14-6-5-12(10-13(14)22-18(24)23-17(20)27)21-16(26)9-11-3-1-2-4-11/h5-6,10-11H,1-4,7-9H2,(H2,19,25)(H,21,26)(H3,20,22,23,27)
InChIKeyVDUZETBNHSLUSE-UHFFFAOYSA-N
XLogP1.92
TPSA145.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide?
The IUPAC name of 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide (CID 71264414) is 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide.
What is the SMILES notation for 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide?
The canonical SMILES for 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide is NC(=O)CCn1c(NC(N)=O)nc2cc(NC(=O)CC3CCCC3)ccc21.
What is the InChIKey of 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide?
The InChIKey is VDUZETBNHSLUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c19-15(25)7-8-24-14-6-5-12(10-13(14)22-18(24)23-17(20)27)21-16(26)9-11-3-1-2-4-11/h5-6,10-11H,1-4,7-9H2,(H2,19,25)(H,21,26)(H3,20,22,23,27).
What are the key properties of 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide?
3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide has a molecular weight of 372.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(carbamoylamino)-5-[(2-cyclopentylacetyl)amino]benzimidazol-1-yl]propanamide is sourced from PubChem (CID 71264414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).