3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide

C18H18N4O — CID 141335658

IUPAC3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide
SMILESNC(=O)CCn1cnc2cc(-c3cc(C4CC4)ccn3)ccc21
InChIInChI=1S/C18H18N4O/c19-18(23)6-8-22-11-21-16-10-14(3-4-17(16)22)15-9-13(5-7-20-15)12-1-2-12/h3-5,7,9-12H,1-2,6,8H2,(H2,19,23)
InChIKeyNCOBOBKQBGWWQW-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.85
Rot. Bonds5

About 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide

3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide (PubChem CID 141335658) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide
PubChem CID141335658
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide
SMILESNC(=O)CCn1cnc2cc(-c3cc(C4CC4)ccn3)ccc21
InChIInChI=1S/C18H18N4O/c19-18(23)6-8-22-11-21-16-10-14(3-4-17(16)22)15-9-13(5-7-20-15)12-1-2-12/h3-5,7,9-12H,1-2,6,8H2,(H2,19,23)
InChIKeyNCOBOBKQBGWWQW-UHFFFAOYSA-N
XLogP2.85
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
NS-2710
CID 9863520
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329407
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329410
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyrimidin-2-one
CID 5329411
2-pyridin-2-yl-1H-benzimidazole-6-carboximidamide
CID 10037159
1-ethyl-3-[7-(2-pyridyl)-5-(3-pyridyl)-1H-benzimidazol-2-yl]urea
CID 11428309
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide?
The IUPAC name of 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide (CID 141335658) is 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide is NC(=O)CCn1cnc2cc(-c3cc(C4CC4)ccn3)ccc21.
What is the InChIKey of 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide?
The InChIKey is NCOBOBKQBGWWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-18(23)6-8-22-11-21-16-10-14(3-4-17(16)22)15-9-13(5-7-20-15)12-1-2-12/h3-5,7,9-12H,1-2,6,8H2,(H2,19,23).
What are the key properties of 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide?
3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide has a molecular weight of 306.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-cyclopropyl-2-pyridinyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 141335658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).