N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide

C20H22N4O3 — CID 91782151

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C20H22N4O3/c25-14-11-13(12-14)19(16-6-3-4-9-21-16)23-18(26)8-10-24-17-7-2-1-5-15(17)22-20(24)27/h1-7,9,13-14,19,25H,8,10-12H2,(H,22,27)(H,23,26)
InChIKeyILYPNESJJCUNRO-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.74
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide (PubChem CID 91782151) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
PubChem CID91782151
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C20H22N4O3/c25-14-11-13(12-14)19(16-6-3-4-9-21-16)23-18(26)8-10-24-17-7-2-1-5-15(17)22-20(24)27/h1-7,9,13-14,19,25H,8,10-12H2,(H,22,27)(H,23,26)
InChIKeyILYPNESJJCUNRO-UHFFFAOYSA-N
XLogP1.74
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide (CID 91782151) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide is O=C(CCn1c(=O)[nH]c2ccccc21)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The InChIKey is ILYPNESJJCUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-14-11-13(12-14)19(16-6-3-4-9-21-16)23-18(26)8-10-24-17-7-2-1-5-15(17)22-20(24)27/h1-7,9,13-14,19,25H,8,10-12H2,(H,22,27)(H,23,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide is sourced from PubChem (CID 91782151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).