methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate

C18H22N4O3 — CID 68615984

IUPACmethyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C(=O)NC3CCN(C4CC4)CC3)[nH]c2c1
InChIInChI=1S/C18H22N4O3/c1-25-18(24)11-2-5-14-15(10-11)21-16(20-14)17(23)19-12-6-8-22(9-7-12)13-3-4-13/h2,5,10,12-13H,3-4,6-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyRYELKYICYJXAHW-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.71
Rot. Bonds4

About methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate

methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate (PubChem CID 68615984) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate
PubChem CID68615984
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(C(=O)NC3CCN(C4CC4)CC3)[nH]c2c1
InChIInChI=1S/C18H22N4O3/c1-25-18(24)11-2-5-14-15(10-11)21-16(20-14)17(23)19-12-6-8-22(9-7-12)13-3-4-13/h2,5,10,12-13H,3-4,6-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyRYELKYICYJXAHW-UHFFFAOYSA-N
XLogP1.71
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylate;methyl 2-(trichloromethyl)-1H-benzimidazole-4-carboxylate
CID 158204114
2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid
CID 68615893
CID 89042397
CID 89042397
methyl 2-[piperidin-4-yl(propyl)carbamoyl]-3H-benzimidazole-5-carboxylate
CID 91140815
methyl 3-[2-[3-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]phenyl]ethynyl]benzoate
CID 47040492
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
6-(2-hydroxyethylsulfonyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide
CID 86595874
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
CID 74234094
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate (CID 68615984) is methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(C(=O)NC3CCN(C4CC4)CC3)[nH]c2c1.
What is the InChIKey of methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate?
The InChIKey is RYELKYICYJXAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-18(24)11-2-5-14-15(10-11)21-16(20-14)17(23)19-12-6-8-22(9-7-12)13-3-4-13/h2,5,10,12-13H,3-4,6-9H2,1H3,(H,19,23)(H,20,21).
What are the key properties of methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate?
methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 68615984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).