1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide

C21H27N5O — CID 92614300

IUPAC1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C
InChIInChI=1S/C21H27N5O/c1-5-17(20-13(3)24-26(6-2)14(20)4)23-21(27)15-7-10-19-18(11-15)22-12-25(19)16-8-9-16/h7,10-12,16-17H,5-6,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeySZAVNETXVKGCFS-QGZVFWFLSA-N
MW365.48 g/mol
LogP4.09
Rot. Bonds6

About 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide

1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide (PubChem CID 92614300) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide
PubChem CID92614300
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C
InChIInChI=1S/C21H27N5O/c1-5-17(20-13(3)24-26(6-2)14(20)4)23-21(27)15-7-10-19-18(11-15)22-12-25(19)16-8-9-16/h7,10-12,16-17H,5-6,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeySZAVNETXVKGCFS-QGZVFWFLSA-N
XLogP4.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide (CID 92614300) is 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide is CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C.
What is the InChIKey of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
The InChIKey is SZAVNETXVKGCFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O/c1-5-17(20-13(3)24-26(6-2)14(20)4)23-21(27)15-7-10-19-18(11-15)22-12-25(19)16-8-9-16/h7,10-12,16-17H,5-6,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 92614300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).