4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide

C18H26N4O2 — CID 120942051

IUPAC4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
SMILESCC(C)n1c(CNC(=O)C2(CN)CCOCC2)nc2ccccc21
InChIInChI=1S/C18H26N4O2/c1-13(2)22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)18(12-19)7-9-24-10-8-18/h3-6,13H,7-12,19H2,1-2H3,(H,20,23)
InChIKeyKRPWRCJYRHIJMH-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.99
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide (PubChem CID 120942051) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
PubChem CID120942051
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
SMILESCC(C)n1c(CNC(=O)C2(CN)CCOCC2)nc2ccccc21
InChIInChI=1S/C18H26N4O2/c1-13(2)22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)18(12-19)7-9-24-10-8-18/h3-6,13H,7-12,19H2,1-2H3,(H,20,23)
InChIKeyKRPWRCJYRHIJMH-UHFFFAOYSA-N
XLogP1.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
4-(4-methoxyphenyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 91822927
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide
CID 120939430
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
CID 75489193
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 139007416
4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941797
[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161158
4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide (CID 120942051) is 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide is CC(C)n1c(CNC(=O)C2(CN)CCOCC2)nc2ccccc21.
What is the InChIKey of 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is KRPWRCJYRHIJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)18(12-19)7-9-24-10-8-18/h3-6,13H,7-12,19H2,1-2H3,(H,20,23).
What are the key properties of 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120942051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).