N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide

C16H21N3O2 — CID 115701405

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H21N3O2/c20-10-16(6-2-1-3-7-16)9-17-15(21)12-4-5-13-14(8-12)19-11-18-13/h4-5,8,11,20H,1-3,6-7,9-10H2,(H,17,21)(H,18,19)
InChIKeyQBDPBRVXAPGEKN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.24
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 115701405) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID115701405
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H21N3O2/c20-10-16(6-2-1-3-7-16)9-17-15(21)12-4-5-13-14(8-12)19-11-18-13/h4-5,8,11,20H,1-3,6-7,9-10H2,(H,17,21)(H,18,19)
InChIKeyQBDPBRVXAPGEKN-UHFFFAOYSA-N
XLogP2.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxythiolan-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 111698305
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide
CID 25390626
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide (CID 115701405) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide is O=C(NCC1(CO)CCCCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QBDPBRVXAPGEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-10-16(6-2-1-3-7-16)9-17-15(21)12-4-5-13-14(8-12)19-11-18-13/h4-5,8,11,20H,1-3,6-7,9-10H2,(H,17,21)(H,18,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 115701405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).