N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide

C17H23N3O2 — CID 97324759

IUPACN-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)c2ccc3nc[nH]c3c2)C[C@H]1OC
InChIInChI=1S/C17H23N3O2/c1-4-17(5-2)14(9-15(17)22-3)20-16(21)11-6-7-12-13(8-11)19-10-18-12/h6-8,10,14-15H,4-5,9H2,1-3H3,(H,18,19)(H,20,21)/t14-,15-/m1/s1
InChIKeyQLRDRUGJSMUIBZ-HUUCEWRRSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds5

About N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide

N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide (PubChem CID 97324759) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide
PubChem CID97324759
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)c2ccc3nc[nH]c3c2)C[C@H]1OC
InChIInChI=1S/C17H23N3O2/c1-4-17(5-2)14(9-15(17)22-3)20-16(21)11-6-7-12-13(8-11)19-10-18-12/h6-8,10,14-15H,4-5,9H2,1-3H3,(H,18,19)(H,20,21)/t14-,15-/m1/s1
InChIKeyQLRDRUGJSMUIBZ-HUUCEWRRSA-N
XLogP2.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide (CID 97324759) is N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide is CCC1(CC)[C@H](NC(=O)c2ccc3nc[nH]c3c2)C[C@H]1OC.
What is the InChIKey of N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QLRDRUGJSMUIBZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-17(5-2)14(9-15(17)22-3)20-16(21)11-6-7-12-13(8-11)19-10-18-12/h6-8,10,14-15H,4-5,9H2,1-3H3,(H,18,19)(H,20,21)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide?
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 97324759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).