(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C17H25N5O — CID 129489236

IUPAC(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCCc1ccnn1C)CC2
InChIInChI=1S/C17H25N5O/c1-11(2)16-20-14-5-4-12(10-15(14)21-16)17(23)18-8-6-13-7-9-19-22(13)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyKIGSBJGUELHCOG-LBPRGKRZSA-N
MW315.42 g/mol
LogP1.73
Rot. Bonds5

About (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 129489236) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID129489236
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCCc1ccnn1C)CC2
InChIInChI=1S/C17H25N5O/c1-11(2)16-20-14-5-4-12(10-15(14)21-16)17(23)18-8-6-13-7-9-19-22(13)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyKIGSBJGUELHCOG-LBPRGKRZSA-N
XLogP1.73
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 129489236) is (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCCc1ccnn1C)CC2.
What is the InChIKey of (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is KIGSBJGUELHCOG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)16-20-14-5-4-12(10-15(14)21-16)17(23)18-8-6-13-7-9-19-22(13)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,18,23)(H,20,21)/t12-/m0/s1.
What are the key properties of (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 129489236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).