N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide

C19H21N3O2 — CID 38503100

IUPACN-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H21N3O2/c1-13(2)24-16-6-3-14(4-7-16)9-10-20-19(23)15-5-8-17-18(11-15)22-12-21-17/h3-8,11-13H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVWVDFBCVUBNSBE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 38503100) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID38503100
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H21N3O2/c1-13(2)24-16-6-3-14(4-7-16)9-10-20-19(23)15-5-8-17-18(11-15)22-12-21-17/h3-8,11-13H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVWVDFBCVUBNSBE-UHFFFAOYSA-N
XLogP3.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 155946321
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 111423702
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795256
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 38503100) is N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is CC(C)Oc1ccc(CCNC(=O)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VWVDFBCVUBNSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)24-16-6-3-14(4-7-16)9-10-20-19(23)15-5-8-17-18(11-15)22-12-21-17/h3-8,11-13H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 38503100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).