N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide

C19H24N6O2 — CID 143500428

IUPACN-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide
SMILESCCN(CCO)Cc1ccc2nc(-c3[nH]ncc3NC(=O)C3CC3)[nH]c2c1
InChIInChI=1S/C19H24N6O2/c1-2-25(7-8-26)11-12-3-6-14-15(9-12)22-18(21-14)17-16(10-20-24-17)23-19(27)13-4-5-13/h3,6,9-10,13,26H,2,4-5,7-8,11H2,1H3,(H,20,24)(H,21,22)(H,23,27)
InChIKeyOKYBYCSQDJNHDP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.12
Rot. Bonds8

About N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide

N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 143500428) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID143500428
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide
SMILESCCN(CCO)Cc1ccc2nc(-c3[nH]ncc3NC(=O)C3CC3)[nH]c2c1
InChIInChI=1S/C19H24N6O2/c1-2-25(7-8-26)11-12-3-6-14-15(9-12)22-18(21-14)17-16(10-20-24-17)23-19(27)13-4-5-13/h3,6,9-10,13,26H,2,4-5,7-8,11H2,1H3,(H,20,24)(H,21,22)(H,23,27)
InChIKeyOKYBYCSQDJNHDP-UHFFFAOYSA-N
XLogP2.12
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide (CID 143500428) is N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide is CCN(CCO)Cc1ccc2nc(-c3[nH]ncc3NC(=O)C3CC3)[nH]c2c1.
What is the InChIKey of N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is OKYBYCSQDJNHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-2-25(7-8-26)11-12-3-6-14-15(9-12)22-18(21-14)17-16(10-20-24-17)23-19(27)13-4-5-13/h3,6,9-10,13,26H,2,4-5,7-8,11H2,1H3,(H,20,24)(H,21,22)(H,23,27).
What are the key properties of N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide?
N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143500428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).