N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide

C18H18N4O — CID 134462843

IUPACN-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc3ncn(CC4CC4)c3c2)ccn1
InChIInChI=1S/C18H18N4O/c1-12(23)21-18-9-15(6-7-19-18)14-4-5-16-17(8-14)22(11-20-16)10-13-2-3-13/h4-9,11,13H,2-3,10H2,1H3,(H,19,21,23)
InChIKeyVAXATEDXWQDTPM-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.47
Rot. Bonds4

About N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide

N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide (PubChem CID 134462843) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide
PubChem CID134462843
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc3ncn(CC4CC4)c3c2)ccn1
InChIInChI=1S/C18H18N4O/c1-12(23)21-18-9-15(6-7-19-18)14-4-5-16-17(8-14)22(11-20-16)10-13-2-3-13/h4-9,11,13H,2-3,10H2,1H3,(H,19,21,23)
InChIKeyVAXATEDXWQDTPM-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide (CID 134462843) is N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc3ncn(CC4CC4)c3c2)ccn1.
What is the InChIKey of N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide?
The InChIKey is VAXATEDXWQDTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12(23)21-18-9-15(6-7-19-18)14-4-5-16-17(8-14)22(11-20-16)10-13-2-3-13/h4-9,11,13H,2-3,10H2,1H3,(H,19,21,23).
What are the key properties of N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide?
N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 134462843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).