N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide

C14H17N3O3 — CID 106297402

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c18-8-14(3-5-20-6-4-14)17-13(19)10-1-2-11-12(7-10)16-9-15-11/h1-2,7,9,18H,3-6,8H2,(H,15,16)(H,17,19)
InChIKeyGHMHLMIWYZMSME-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.83
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 106297402) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID106297402
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c18-8-14(3-5-20-6-4-14)17-13(19)10-1-2-11-12(7-10)16-9-15-11/h1-2,7,9,18H,3-6,8H2,(H,15,16)(H,17,19)
InChIKeyGHMHLMIWYZMSME-UHFFFAOYSA-N
XLogP0.83
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
CID 104630575
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
CID 115701405
N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119565508
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 103954232
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 56791414
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide (CID 106297402) is N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide is O=C(NC1(CO)CCOCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GHMHLMIWYZMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-8-14(3-5-20-6-4-14)17-13(19)10-1-2-11-12(7-10)16-9-15-11/h1-2,7,9,18H,3-6,8H2,(H,15,16)(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 106297402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).