4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide

C18H24N4O2 — CID 120940687

IUPAC4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCOCC1
InChIInChI=1S/C18H24N4O2/c19-11-18(6-8-24-9-7-18)17(23)20-13-4-5-14-15(10-13)22-16(21-14)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11,19H2,(H,20,23)(H,21,22)
InChIKeyWOAOXCNXENRBKE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.52
Rot. Bonds4

About 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide (PubChem CID 120940687) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide
PubChem CID120940687
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCOCC1
InChIInChI=1S/C18H24N4O2/c19-11-18(6-8-24-9-7-18)17(23)20-13-4-5-14-15(10-13)22-16(21-14)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11,19H2,(H,20,23)(H,21,22)
InChIKeyWOAOXCNXENRBKE-UHFFFAOYSA-N
XLogP2.52
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
CID 120924638
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CID 119872008
4-(aminomethyl)-N-[4-(1H-benzimidazol-2-yl)phenyl]oxane-4-carboxamide
CID 120937714
4-(aminomethyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120923003
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[3-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922415
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide (CID 120940687) is 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide is NCC1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide?
The InChIKey is WOAOXCNXENRBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-11-18(6-8-24-9-7-18)17(23)20-13-4-5-14-15(10-13)22-16(21-14)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11,19H2,(H,20,23)(H,21,22).
What are the key properties of 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 120940687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).