1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide

C14H17N3O2 — CID 115182270

IUPAC1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc2ccc(CNC(=O)C3(CO)CC3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c1-9-16-11-3-2-10(6-12(11)17-9)7-15-13(19)14(8-18)4-5-14/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyAGQSEYHNUXXVDL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds4

About 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide

1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 115182270) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
PubChem CID115182270
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nc2ccc(CNC(=O)C3(CO)CC3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c1-9-16-11-3-2-10(6-12(11)17-9)7-15-13(19)14(8-18)4-5-14/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyAGQSEYHNUXXVDL-UHFFFAOYSA-N
XLogP1.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
CID 115185226
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708
1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 163312396

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide (CID 115182270) is 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide is Cc1nc2ccc(CNC(=O)C3(CO)CC3)cc2[nH]1.
What is the InChIKey of 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is AGQSEYHNUXXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-16-11-3-2-10(6-12(11)17-9)7-15-13(19)14(8-18)4-5-14/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).